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Ligand

NameCHEMBL603144
Molecular formulaC36H50N6O6
IUPAC name(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carbonyl]amino]pentanoic acid
Molecular weight662.832
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50307747
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}-amino)pentanoic Acid
Inchi KeyBGFYKMHCOQHUCD-PMERELPUSA-N
Inchi IDInChI=1S/C36H50N6O6/c1-2-3-9-24-48-36(47)42-22-20-41(21-23-42)35(46)30(12-13-33(43)44)38-34(45)32-26-29(25-31(37-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)39-16-7-8-17-39/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
PubChem CID45141773
ChEMBLCHEMBL603144
IUPHARN/A
BindingDB50307747
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
22963P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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