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Ligand

NameCHEMBL3916690
Molecular formulaC28H33F6N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[ethyl(propyl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight557.581
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.0
SynonymsSCHEMBL15251236
Inchi KeyGJMMOXCPOJNXMP-NIYFSFCBSA-N
Inchi IDInChI=1S/C28H33F6N3O2/c1-6-11-36(7-2)15-26(16-37(24(38)19(26)5)23-17(3)9-8-10-18(23)4)25(39)35-22-13-20(27(29,30)31)12-21(14-22)28(32,33)34/h8-10,12-14,19H,6-7,11,15-16H2,1-5H3,(H,35,39)/t19-,26-/m1/s1
PubChem CID89799860
ChEMBLCHEMBL3916690
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
538405Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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