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Ligand

NameCHEMBL3421893
Molecular formulaC28H27Cl2N3O4
IUPAC nameethyl 3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoate
Molecular weight540.441
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50081124
Inchi KeyDCANVTYBPWSTEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27Cl2N3O4/c1-2-36-27(34)10-7-18-15-22(30)26(16-21(18)29)37-25-11-12-31-17-20(25)28(35)33-14-13-32(19-8-9-19)23-5-3-4-6-24(23)33/h3-6,11-12,15-17,19H,2,7-10,13-14H2,1H3
PubChem CID71626765
ChEMBLCHEMBL3421893
IUPHARN/A
BindingDB50081124
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
443924G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
443925G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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