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Ligand

NameCHEMBL549594
Molecular formulaC30H32N4O6
IUPAC name(4S)-4-[(2,6-diphenylpyridine-4-carbonyl)amino]-5-oxo-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid
Molecular weight544.608
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.0
SynonymsBDBM50298121
(S)-4-(2,6-diphenylisonicotinamido)-5-oxo-5-(4-(propionyloxy)piperazin-1-yl)pentanoic acid
Inchi KeyAVUMANAEMIGQIO-DEOSSOPVSA-N
Inchi IDInChI=1S/C30H32N4O6/c1-2-28(37)40-34-17-15-33(16-18-34)30(39)24(13-14-27(35)36)32-29(38)23-19-25(21-9-5-3-6-10-21)31-26(20-23)22-11-7-4-8-12-22/h3-12,19-20,24H,2,13-18H2,1H3,(H,32,38)(H,35,36)/t24-/m0/s1
PubChem CID45270266
ChEMBLCHEMBL549594
IUPHARN/A
BindingDB50298121
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
15655P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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