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Ligand

NameCHEMBL590256
Molecular formulaC34H47N5O7
IUPAC name(4S)-4-[[4-[3-(methoxymethyl)piperidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight637.778
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50306959
(4S)-4-(4-(3-(methoxymethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyBCYVQKJKMUUCCP-NMXAJACMSA-N
Inchi IDInChI=1S/C34H47N5O7/c1-3-4-8-20-46-34(44)38-18-16-37(17-19-38)33(43)28(13-14-31(40)41)36-32(42)30-22-27(39-15-9-10-25(23-39)24-45-2)21-29(35-30)26-11-6-5-7-12-26/h5-7,11-12,21-22,25,28H,3-4,8-10,13-20,23-24H2,1-2H3,(H,36,42)(H,40,41)/t25?,28-/m0/s1
PubChem CID46232925
ChEMBLCHEMBL590256
IUPHARN/A
BindingDB50306959
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
20695P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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