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Ligand

NameCHEMBL601692
Molecular formulaC37H52N6O6
IUPAC name(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-2-carbonyl]amino]pentanoic acid
Molecular weight676.859
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.1
Synonyms(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-yl}-carbonyl)amino]pentanoic Acid
BDBM50307002
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(pyrrolidin-1-ylmethyl)piperidin-1-yl)picolinamido)pentanoic acid
Inchi KeyBDSUWXPQUDLPGI-HKBQPEDESA-N
Inchi IDInChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
PubChem CID45142217
ChEMBLCHEMBL601692
IUPHARN/A
BindingDB50307002
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
21220P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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