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Ligand

NameCHEMBL47775
Molecular formulaC32H42N4O
IUPAC nameN-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
Molecular weight498.715
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50099638
N-[(S)-1-Cyclohexylethyl]-3-(4-isopropylpiperazinomethyl)-2-phenylquinoline-4-carboxamide
3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
Inchi KeyAXFMOMFMMVHXGZ-DEOSSOPVSA-N
Inchi IDInChI=1S/C32H42N4O/c1-23(2)36-20-18-35(19-21-36)22-28-30(32(37)33-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)34-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,33,37)/t24-/m0/s1
PubChem CID9872857
ChEMBLCHEMBL47775
IUPHARN/A
BindingDB50099638
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16664Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
16666Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
16665Substance-K receptorP21452TACR2Homo sapiens (Human)398

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