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Ligand

NameCHEMBL403040
Molecular formulaC31H27Cl2N5O2
IUPAC name2-[4-chloro-2-imino-3-[2-[(2S)-1-(quinoline-8-carbonyl)pyrrolidin-2-yl]ethyl]benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
Molecular weight572.49
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50375120
Inchi KeyTZNOJOJNCZRYKT-QHCPKHFHSA-N
Inchi IDInChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1
PubChem CID44453470
ChEMBLCHEMBL403040
IUPHARN/A
BindingDB50375120
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
331268C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
331269C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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