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Ligand

NameCHEMBL271081
Molecular formulaC20H20ClN3O3
IUPAC nameethyl 3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propanoate
Molecular weight385.848
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50375132
SCHEMBL14373280
Inchi KeyBLKSDTGJDRGAEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20ClN3O3/c1-2-27-19(26)11-12-23-16-5-3-4-6-17(16)24(20(23)22)13-18(25)14-7-9-15(21)10-8-14/h3-10,22H,2,11-13H2,1H3
PubChem CID44453439
ChEMBLCHEMBL271081
IUPHARN/A
BindingDB50375132
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26743C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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