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Ligand

NameCHEMBL3964891
Molecular formulaC28H29F8N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight591.546
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL15251182
Inchi KeyAECVBIBPXYUBRU-IQGLISFBSA-N
Inchi IDInChI=1S/C28H29F8N3O2/c1-16-5-4-6-17(2)22(16)39-15-25(18(3)23(39)40,14-38-9-7-26(29,30)8-10-38)24(41)37-21-12-19(27(31,32)33)11-20(13-21)28(34,35)36/h4-6,11-13,18H,7-10,14-15H2,1-3H3,(H,37,41)/t18-,25-/m1/s1
PubChem CID89799820
ChEMBLCHEMBL3964891
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
535995Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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