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Ligand

NameCHEMBL3983300
Molecular formulaC29H33F6N3O2
IUPAC name(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-N-[3-(trifluoromethyl)-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidine-3-carboxamide
Molecular weight569.592
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.2
SynonymsSCHEMBL15251199
Inchi KeyFXVNNKUNPPJLND-XODLJYGDSA-N
Inchi IDInChI=1S/C29H33F6N3O2/c1-5-27(16-38(25(39)19(27)4)24-17(2)8-6-9-18(24)3)26(40)36-22-13-20(12-21(14-22)28(30,31)32)15-37-11-7-10-23(37)29(33,34)35/h6,8-9,12-14,19,23H,5,7,10-11,15-16H2,1-4H3,(H,36,40)/t19-,23?,27-/m1/s1
PubChem CID51034454
ChEMBLCHEMBL3983300
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
538231Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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