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Ligand

NameCHEMBL3965949
Molecular formulaC26H26F9N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-4-methyl-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-oxopyrrolidine-3-carboxamide
Molecular weight583.499
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL15251203
Inchi KeyKOEWOZJJSTUTKG-WAIKUNEKSA-N
Inchi IDInChI=1S/C26H26F9N3O2/c1-14-6-5-7-15(2)20(14)38-12-23(16(3)21(38)39,11-37(4)13-24(27,28)29)22(40)36-19-9-17(25(30,31)32)8-18(10-19)26(33,34)35/h5-10,16H,11-13H2,1-4H3,(H,36,40)/t16-,23-/m1/s1
PubChem CID89799838
ChEMBLCHEMBL3965949
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
540465Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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