BDBM50008984 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one::CHEMBL596::Duragesic-100::Duragesic-12::Duragesic-25::Duragesic-50::Duragesic-75::FENTANYL::FENTANYL CITRATE::FENTANYL-HCl::Fentanyl-100::Fentanyl-12::Fentanyl-25::Fentanyl-50::Fentanyl-75::Fentora::Innovar::Ionsys::N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide::N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide(Fentanyl)::N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide::US20230399418, Compound Fentanyl

SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N

Data  48 KI  33 IC50  1 Kd  9 EC50  1 Koff  1 Kon

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 4 hits for monomerid = 50008984   

TargetMu-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  5.90nMAssay Description:Displacement of [3H]-DAMGO from Swiss Webster mouse neural membranes mu opioid receptor after 60 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  568nMAssay Description:Displacement of [3H]-DPDPE from Swiss Webster mouse neural membranes delta opioid receptor after 60 mins by liquid scintillation spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  3.5nMAssay Description:Agonist activity at delta opioid receptor in beta-funaltrexamine-treated mouse vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  9.5nMAssay Description:Agonist activity at mu opioid receptor in beta-funaltrexamine-treated guinea pig isolated ileumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed