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BDBM67544 N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine;hydrochloride::N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydrochloride::SR-01000000224-4::TRIFLUPROMAZINE::cid_66069::dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amine;hydrochloride

SMILES: CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

InChI Key: InChIKey=XSCGXQMFQXDFCW-UHFFFAOYSA-N

Data: 9 KI  5 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 67544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DRD2


(BOVINE)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Neuropsychiatry Clin Neurosci 8: 223-6 (1996)


Article DOI: 10.1176/jnp.8.2.223
BindingDB Entry DOI: 10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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52n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 75: 6290-4 (1978)


Article DOI: 10.1073/pnas.75.12.6290
BindingDB Entry DOI: 10.7270/Q2FN14P6
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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530n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Neuropsychiatry Clin Neurosci 8: 223-6 (1996)


Article DOI: 10.1176/jnp.8.2.223
BindingDB Entry DOI: 10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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530n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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605n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Pharm Pharmacol 38: 374-9 (1986)


Article DOI: 10.1111/j.2042-7158.1986.tb04590.x
BindingDB Entry DOI: 10.7270/Q2JS9NXW
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.57E+4n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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3.02E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (T. cruzi) Trypanothione reductase (linear competitive type)


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a>1.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-a...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 7.80E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...


ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair