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Ligand

NameCHEMBL3910762
Molecular formulaC29H34F5N3O2
IUPAC name(3R,4S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-(2,6-dimethylphenyl)-N-[3-ethyl-5-(trifluoromethyl)phenyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight551.602
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL15251243
Inchi KeyJYJSAUXYQIORFX-NFQMXDRXSA-N
Inchi IDInChI=1S/C29H34F5N3O2/c1-5-21-13-22(29(32,33)34)15-23(14-21)35-26(39)27(16-36-11-9-28(30,31)10-12-36)17-37(25(38)20(27)4)24-18(2)7-6-8-19(24)3/h6-8,13-15,20H,5,9-12,16-17H2,1-4H3,(H,35,39)/t20-,27-/m1/s1
PubChem CID89799867
ChEMBLCHEMBL3910762
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
540165Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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