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Ligand

NameCHEMBL33868
Molecular formulaC36H42N4O
IUPAC name3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Molecular weight546.759
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.0
SynonymsBDBM50099643
N-[(S)-alpha-Ethylbenzyl]-3-(4-cyclohexylpiperazinomethyl)-2-phenylquinoline-4-carboxamide
3-(4-Cyclohexyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide
Inchi KeyBIMJVPXBEXJSPH-YTTGMZPUSA-N
Inchi IDInChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-20-12-13-21-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-22-24-40(25-23-39)29-18-10-5-11-19-29/h3-4,6-9,12-17,20-21,29,32H,2,5,10-11,18-19,22-26H2,1H3,(H,38,41)/t32-/m0/s1
PubChem CID10840329
ChEMBLCHEMBL33868
IUPHARN/A
BindingDB50099643
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24553Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
24551Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
24552Substance-K receptorP21452TACR2Homo sapiens (Human)398

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