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Ligand

NameCHEMBL316085
Molecular formulaC31H34ClN5O2
IUPAC name(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular weight544.096
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP6.0
SynonymsBDBM50071740
(S)-2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
Inchi KeyAMIBSGKPRJXHLH-PMERELPUSA-N
Inchi IDInChI=1S/C31H34ClN5O2/c1-30(19-22-20-34-26-10-4-3-9-25(22)26,37-29(39)36-24-14-12-23(32)13-15-24)28(38)35-21-31(16-6-2-7-17-31)27-11-5-8-18-33-27/h3-5,8-15,18,20,34H,2,6-7,16-17,19,21H2,1H3,(H,35,38)(H2,36,37,39)/t30-/m0/s1
PubChem CID44321084
ChEMBLCHEMBL316085
IUPHARN/A
BindingDB50071740
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8915Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
8914Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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