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Ligand

NameCHEMBL473532
Molecular formulaC21H20ClF4N3O2
IUPAC name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
Molecular weight457.854
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50293053
(R)-N2-(4-Chlorobenzyl)-N1-[2-fluoro-4-(trifluoromethyl)phenyl]-N2-methylpyrrolidine-1,2-dicarboxamide
Inchi KeyCBWXWWZGSKPBOX-GOSISDBHSA-N
Inchi IDInChI=1S/C21H20ClF4N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1
PubChem CID25233755
ChEMBLCHEMBL473532
IUPHARN/A
BindingDB50293053
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
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GLASS IDNameUniProtGeneSpeciesLength
38307C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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