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Ligand

NameCHEMBL601696
Molecular formulaC35H48N6O7
IUPAC name(4S)-4-[[4-[4-(ethylcarbamoyl)piperidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight664.804
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50306993
(S)-4-(4-(4-(ethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyAQONGNHQJIAODR-NDEPHWFRSA-N
Inchi IDInChI=1S/C35H48N6O7/c1-3-5-9-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)38-33(45)30-24-27(23-29(37-30)25-10-7-6-8-11-25)39-16-14-26(15-17-39)32(44)36-4-2/h6-8,10-11,23-24,26,28H,3-5,9,12-22H2,1-2H3,(H,36,44)(H,38,45)(H,42,43)/t28-/m0/s1
PubChem CID46232890
ChEMBLCHEMBL601696
IUPHARN/A
BindingDB50306993
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
11964P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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