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Ligand

NameCHEMBL256585
Molecular formulaC32H34F3N3O5S
IUPAC nameN-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Molecular weight629.695
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM50371492
Inchi KeyAIFWQRPYGQNPEW-HSZRJFAPSA-N
Inchi IDInChI=1S/C32H34F3N3O5S/c1-4-42-27-17-13-26(14-18-27)38-22-29(25-9-7-6-8-10-25)36-31(38)23(3)37(19-20-44(40,41)5-2)30(39)21-24-11-15-28(16-12-24)43-32(33,34)35/h6-18,22-23H,4-5,19-21H2,1-3H3/t23-/m1/s1
PubChem CID44455722
ChEMBLCHEMBL256585
IUPHARN/A
BindingDB50371492
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
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GLASS IDNameUniProtGeneSpeciesLength
6176C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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