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Ligand

NameCHEMBL601447
Molecular formulaC36H51N7O7
IUPAC name(4S)-4-[[4-[4-(diethylcarbamoyl)piperazin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight693.846
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50306964
(S)-4-(4-(4-(diethylcarbamoyl)piperazin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyBGPILGQGXWSFLA-LJAQVGFWSA-N
Inchi IDInChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-18-41(19-23-43)34(47)29(14-15-32(44)45)38-33(46)31-26-28(25-30(37-31)27-12-9-8-10-13-27)40-16-20-42(21-17-40)35(48)39(5-2)6-3/h8-10,12-13,25-26,29H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t29-/m0/s1
PubChem CID46232920
ChEMBLCHEMBL601447
IUPHARN/A
BindingDB50306964
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
23278P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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