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Ligand

NameCHEMBL105847
Molecular formulaC36H37ClN4O2S
IUPAC name(2S)-N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide
Molecular weight625.228
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM50066206
(S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-biphenyl-4-yl-ethyl]-amide
Inchi KeyARKKFYUXHFNQLU-LQJZCPKCSA-N
Inchi IDInChI=1S/C36H37ClN4O2S/c1-40(25-27-11-4-2-5-12-27)35(43)32(23-26-18-20-29(21-19-26)28-13-6-3-7-14-28)39-34(42)33-17-10-22-41(33)36(44)38-24-30-15-8-9-16-31(30)37/h2-9,11-16,18-21,32-33H,10,17,22-25H2,1H3,(H,38,44)(H,39,42)/t32-,33-/m0/s1
PubChem CID10651575
ChEMBLCHEMBL105847
IUPHARN/A
BindingDB50066206
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12539Substance-P receptorP25103TACR1Homo sapiens (Human)407

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