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Ligand

NameCHEMBL565249
Molecular formulaC31H43N7O6
IUPAC name(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[4-phenyl-6-(pyrrolidin-3-ylmethylamino)pyrimidine-2-carbonyl]amino]pentanoic acid
Molecular weight609.728
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP0.4
SynonymsBDBM50302651
(S)-4-(4-(cyclopentylmethylamino)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyAXDIPPOKVUZQIS-GITCGBDTSA-N
Inchi IDInChI=1S/C31H43N7O6/c1-2-3-7-18-44-31(43)38-16-14-37(15-17-38)30(42)24(10-11-27(39)40)35-29(41)28-34-25(23-8-5-4-6-9-23)19-26(36-28)33-21-22-12-13-32-20-22/h4-6,8-9,19,22,24,32H,2-3,7,10-18,20-21H2,1H3,(H,35,41)(H,39,40)(H,33,34,36)/t22?,24-/m0/s1
PubChem CID45485893
ChEMBLCHEMBL565249
IUPHARN/A
BindingDB50302651
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
16573P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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