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Ligand

NameCHEMBL590950
Molecular formulaC35H47N5O8
IUPAC name(4S)-4-[[4-[(1-acetylpiperidin-4-yl)methoxy]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight665.788
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50307603
(4S)4-[({4-[(1-Acetylpiperidin-4-yl)ethoxy]-6-phenylpyridin-2-yl}carbonyl)mino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Inchi KeyBOUQZYBPLWILAN-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H47N5O8/c1-3-4-8-21-47-35(46)40-19-17-39(18-20-40)34(45)29(11-12-32(42)43)37-33(44)31-23-28(22-30(36-31)27-9-6-5-7-10-27)48-24-26-13-15-38(16-14-26)25(2)41/h5-7,9-10,22-23,26,29H,3-4,8,11-21,24H2,1-2H3,(H,37,44)(H,42,43)/t29-/m0/s1
PubChem CID45139405
ChEMBLCHEMBL590950
IUPHARN/A
BindingDB50307603
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
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GLASS IDNameUniProtGeneSpeciesLength
29148P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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