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Ligand

NameCHEMBL596961
Molecular formulaC29H38N4O7
IUPAC name(4S)-4-[(4-ethoxy-6-phenylpyridine-2-carbonyl)amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight554.644
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50307739
(4S)4-{[(4-Ethoxy-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Inchi KeyBPUGPDVTNBBEEL-QHCPKHFHSA-N
Inchi IDInChI=1S/C29H38N4O7/c1-3-5-9-18-40-29(38)33-16-14-32(15-17-33)28(37)23(12-13-26(34)35)31-27(36)25-20-22(39-4-2)19-24(30-25)21-10-7-6-8-11-21/h6-8,10-11,19-20,23H,3-5,9,12-18H2,1-2H3,(H,31,36)(H,34,35)/t23-/m0/s1
PubChem CID45139952
ChEMBLCHEMBL596961
IUPHARN/A
BindingDB50307739
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29912P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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