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Ligand

NameCHEMBL3933817
Molecular formulaC24H24F6N2O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-4-ethyl-3-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight486.458
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.6
SynonymsSCHEMBL15251220
Inchi KeyKOTKRADTFVZNPE-GCJKJVERSA-N
Inchi IDInChI=1S/C24H24F6N2O2/c1-5-18-20(33)32(19-13(2)7-6-8-14(19)3)12-22(18,4)21(34)31-17-10-15(23(25,26)27)9-16(11-17)24(28,29)30/h6-11,18H,5,12H2,1-4H3,(H,31,34)/t18-,22+/m1/s1
PubChem CID51033454
ChEMBLCHEMBL3933817
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
540471Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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