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Ligand

NameCHEMBL3961939
Molecular formulaC27H34F3N3O2
IUPAC name(3S,4S)-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-3-propan-2-yl-N-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Molecular weight489.583
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.0
SynonymsSCHEMBL15251162
Inchi KeyFHKVCGWXWJWLHU-BCHFMIIMSA-N
Inchi IDInChI=1S/C27H34F3N3O2/c1-15(2)26(14-33(24(34)19(26)7)23-17(5)9-8-10-18(23)6)25(35)32-22-12-20(27(28,29)30)11-21(13-22)31-16(3)4/h8-13,15-16,19,31H,14H2,1-7H3,(H,32,35)/t19-,26+/m1/s1
PubChem CID89799805
ChEMBLCHEMBL3961939
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
537910Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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