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Ligand

NameCHEMBL3954941
Molecular formulaC28H33F6N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[ethyl(propan-2-yl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight557.581
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL15251149
Inchi KeyFENUPKINGVQIDI-NIYFSFCBSA-N
Inchi IDInChI=1S/C28H33F6N3O2/c1-7-36(16(2)3)14-26(15-37(24(38)19(26)6)23-17(4)9-8-10-18(23)5)25(39)35-22-12-20(27(29,30)31)11-21(13-22)28(32,33)34/h8-13,16,19H,7,14-15H2,1-6H3,(H,35,39)/t19-,26-/m1/s1
PubChem CID89799794
ChEMBLCHEMBL3954941
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This 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
537857Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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