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Ligand

NameCHEMBL3909448
Molecular formulaC24H27F3N2O3
IUPAC name(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight448.486
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL15251175
Inchi KeyJHSNMJINMARKTQ-WAIKUNEKSA-N
Inchi IDInChI=1S/C24H27F3N2O3/c1-6-23(13-29(21(30)16(23)4)20-14(2)8-7-9-15(20)3)22(31)28-18-10-17(24(25,26)27)11-19(12-18)32-5/h7-12,16H,6,13H2,1-5H3,(H,28,31)/t16-,23-/m1/s1
PubChem CID51034006
ChEMBLCHEMBL3909448
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
539863Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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