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Ligand

NameCHEMBL3892026
Molecular formulaC21H18F3N3O2
IUPAC nameN-[3-cyano-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Molecular weight401.389
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsSCHEMBL12728307
Inchi KeyDVXKTLYPEYDJAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18F3N3O2/c1-12-4-3-5-13(2)19(12)27-11-15(8-18(27)28)20(29)26-17-7-14(10-25)6-16(9-17)21(22,23)24/h3-7,9,15H,8,11H2,1-2H3,(H,26,29)
PubChem CID68365556
ChEMBLCHEMBL3892026
IUPHARN/A
BindingDBN/A
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
537707Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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