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Ligand

NameCHEMBL590001
Molecular formulaC35H49N5O7
IUPAC name(4S)-4-[[4-[4-(2-methoxyethyl)piperidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight651.805
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50307001
(S)-4-(4-(4-(2-methoxyethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyAAPYSFDTKKNFER-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H49N5O7/c1-3-4-8-22-47-35(45)40-20-18-39(19-21-40)34(44)29(11-12-32(41)42)37-33(43)31-25-28(24-30(36-31)27-9-6-5-7-10-27)38-16-13-26(14-17-38)15-23-46-2/h5-7,9-10,24-26,29H,3-4,8,11-23H2,1-2H3,(H,37,43)(H,41,42)/t29-/m0/s1
PubChem CID46232882
ChEMBLCHEMBL590001
IUPHARN/A
BindingDB50307001
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
432P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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