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Ligand

NameCHEMBL3953770
Molecular formulaC24H27F3N2O2
IUPAC name(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Molecular weight432.487
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL15251224
Inchi KeyJOCHSJFMPJHZKT-UZUQRXQVSA-N
Inchi IDInChI=1S/C24H27F3N2O2/c1-6-23(22(31)28-18-11-10-14(2)19(12-18)24(25,26)27)13-29(21(30)17(23)5)20-15(3)8-7-9-16(20)4/h7-12,17H,6,13H2,1-5H3,(H,28,31)/t17-,23-/m1/s1
PubChem CID89799848
ChEMBLCHEMBL3953770
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
539970Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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