BDBM86748 CAS_386750-22-7::Desvenlafaxine::NSC_6918664::O-Desmethylvenlafaxine::US9944618, Compound ID No. 181

SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1

InChI Key InChIKey=KYYIDSXMWOZKMP-UHFFFAOYSA-N

Data  31 KI  10 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 86748   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  4.10nMAssay Description:SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  7.70nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  47.3nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  115nMMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  531nMMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  558nMMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  668nMAssay Description:NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...More data for this Ligand-Target Pair
TargetNorepinephrine transporter(RAT)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  938nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  2.75E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  3.15E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  3.39E+3nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi:  3.73E+3nMAssay Description:DAT: This protocol was designed to measure inhibition of uptake by the human dopamine transporter. The reagents were human DAT (HEK293F) cells, GBR 1...More data for this Ligand-Target Pair
TargetTransporter(GUINEA PIG)
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(BOVINE)
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetHistamine H2 receptor(Cavia porcellus (domestic guinea pig))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetHrh3 protein(RAT)
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetAdenosine 3'-phospho 5'-phosphosulfate transporter 1(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(BOVINE)
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 2.00E+7nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 3.16E+5nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
TargetTransporter(Rattus norvegicus)
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 1.16E+3nMAssay Description:Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 180nMAssay Description:Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomesMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily D member 3(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 5.01E+6nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Wyeth Research

Curated by PDSP Ki Database
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 538nMAssay Description:Inhibition of human NET expressed in CHO cells assessed as reduction of [3H]-NE re-uptake preincubated for 10 mins followed by [3H]-NE addition measu...More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Foundation

US Patent
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 53nMAssay Description:Inhibition of human SERT expressed in CHO cells assessed as reduction of [3H]-5-HT re-uptake preincubated for 10 mins followed by [3H]-5-HT addition ...More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM86748(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
Affinity DataIC50: 60nMAssay Description:Inhibition of binding of [3H]imipramine to imipramine receptor in rat brainMore data for this Ligand-Target Pair