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Ligand

NameCHEMBL601907
Molecular formulaC37H50N6O7
IUPAC name(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridine-2-carbonyl]amino]pentanoic acid
Molecular weight690.842
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50306932
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(pyrrolidine-1-carbonyl)piperidin-1-yl)picolinamido)pentanoic acid
Inchi KeyALLHEJMQIBVNHN-PMERELPUSA-N
Inchi IDInChI=1S/C37H50N6O7/c1-2-3-9-24-50-37(49)43-22-20-42(21-23-43)36(48)30(12-13-33(44)45)39-34(46)32-26-29(25-31(38-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)35(47)41-16-7-8-17-41/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,39,46)(H,44,45)/t30-/m0/s1
PubChem CID46232900
ChEMBLCHEMBL601907
IUPHARN/A
BindingDB50306932
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
8364P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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