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Ligand

NameCHEMBL271423
Molecular formulaC29H32F4N4O3S
IUPAC nameN-[(1R)-1-[4-tert-butyl-1-(4-cyanophenyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
Molecular weight592.654
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50371508
SCHEMBL13151146
Inchi KeyBAMOBWKTFZNYDW-LJQANCHMSA-N
Inchi IDInChI=1S/C29H32F4N4O3S/c1-6-41(39,40)14-13-36(26(38)16-21-9-12-24(30)23(15-21)29(31,32)33)19(2)27-35-25(28(3,4)5)18-37(27)22-10-7-20(17-34)8-11-22/h7-12,15,18-19H,6,13-14,16H2,1-5H3/t19-/m1/s1
PubChem CID44455517
ChEMBLCHEMBL271423
IUPHARN/A
BindingDB50371508
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18988C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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