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Ligand

NameCHEMBL3290733
Molecular formulaC33H31ClN4O6
IUPAC nameethyl 2-[[(E)-3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-3-methyl-1-benzofuran-2-yl]prop-2-enoyl]amino]acetate
Molecular weight615.083
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50019490
Inchi KeyDVOYPVCTWZIMAA-OUKQBFOZSA-N
Inchi IDInChI=1S/C33H31ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-15,18,21H,3,8-9,16-17,19H2,1-2H3,(H,36,39)/b13-12+
PubChem CID90644455
ChEMBLCHEMBL3290733
IUPHARN/A
BindingDB50019490
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70106G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
70107G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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