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Ligand

NameCHEMBL601270
Molecular formulaC33H45N5O7
IUPAC name(4S)-4-[[4-(3-methoxypiperidin-1-yl)-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight623.751
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50306960
(4S)-4-(4-(3-methoxypiperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyBENZZVSVNAGPOJ-GEVKEYJPSA-N
Inchi IDInChI=1S/C33H45N5O7/c1-3-4-8-20-45-33(43)37-18-16-36(17-19-37)32(42)27(13-14-30(39)40)35-31(41)29-22-25(38-15-9-12-26(23-38)44-2)21-28(34-29)24-10-6-5-7-11-24/h5-7,10-11,21-22,26-27H,3-4,8-9,12-20,23H2,1-2H3,(H,35,41)(H,39,40)/t26?,27-/m0/s1
PubChem CID46232924
ChEMBLCHEMBL601270
IUPHARN/A
BindingDB50306960
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
21759P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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