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Ligand

NameCHEMBL87846
Molecular formulaC32H35N5O5
IUPAC name(2S)-N-[[1-(4-hydroxyphenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Molecular weight569.662
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP5.9
SynonymsBDBM50071738
(S)-N-[1-(4-Hydroxy-phenyl)-cyclohexylmethyl]-3-(1H-indol-3-yl)-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide
Inchi KeyDMQGYVMAKLBBJM-HKBQPEDESA-N
Inchi IDInChI=1S/C32H35N5O5/c1-31(19-22-20-33-28-8-4-3-7-27(22)28,36-30(40)35-24-11-13-25(14-12-24)37(41)42)29(39)34-21-32(17-5-2-6-18-32)23-9-15-26(38)16-10-23/h3-4,7-16,20,33,38H,2,5-6,17-19,21H2,1H3,(H,34,39)(H2,35,36,40)/t31-/m0/s1
PubChem CID44321158
ChEMBLCHEMBL87846
IUPHARN/A
BindingDB50071738
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
63937Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
63936Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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