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Ligand

NameCHEMBL3922201
Molecular formulaC28H29F8N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[(3,3-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
SynonymsSCHEMBL15251249
Inchi KeyAEGDPXAYVSWTHS-IQGLISFBSA-N
Inchi IDInChI=1S/C28H29F8N3O2/c1-16-6-4-7-17(2)22(16)39-14-25(18(3)23(39)40,13-38-9-5-8-26(29,30)15-38)24(41)37-21-11-19(27(31,32)33)10-20(12-21)28(34,35)36/h4,6-7,10-12,18H,5,8-9,13-15H2,1-3H3,(H,37,41)/t18-,25-/m1/s1
PubChem CID89799873
ChEMBLCHEMBL3922201
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
535997Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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