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Ligand

NameCHEMBL3913510
Molecular formulaC28H32F7N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[4-fluorobutyl(methyl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight575.572
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL15251252
Inchi KeyCISUXAXXTJZISD-NIYFSFCBSA-N
Inchi IDInChI=1S/C28H32F7N3O2/c1-17-8-7-9-18(2)23(17)38-16-26(19(3)24(38)39,15-37(4)11-6-5-10-29)25(40)36-22-13-20(27(30,31)32)12-21(14-22)28(33,34)35/h7-9,12-14,19H,5-6,10-11,15-16H2,1-4H3,(H,36,40)/t19-,26-/m1/s1
PubChem CID89799876
ChEMBLCHEMBL3913510
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
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GLASS IDNameUniProtGeneSpeciesLength
537082Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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