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Ligand

NameCHEMBL3400276
Molecular formulaC31H36N2O3
IUPAC nameethyl 4-[4-[[(2S,3S)-2-amino-3-methylpentyl]-[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]phenyl]benzoate
Molecular weight484.64
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50065937
Inchi KeyGOHJUGNDVLPAMF-AGMJPXHESA-N
Inchi IDInChI=1S/C31H36N2O3/c1-4-21(3)29(32)20-33(30(34)28-19-27(28)24-9-7-6-8-10-24)26-17-15-23(16-18-26)22-11-13-25(14-12-22)31(35)36-5-2/h6-18,21,27-29H,4-5,19-20,32H2,1-3H3/t21-,27-,28+,29+/m0/s1
PubChem CID118727685
ChEMBLCHEMBL3400276
IUPHARN/A
BindingDB50065937
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
445685Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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