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Ligand

NameCHEMBL3933822
Molecular formulaC29H34F7N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[2-fluoroethyl(2-methylpropyl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight589.599
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.4
SynonymsSCHEMBL15251138
Inchi KeyDKEUPKNDITZZQA-NFQMXDRXSA-N
Inchi IDInChI=1S/C29H34F7N3O2/c1-17(2)14-38(10-9-30)15-27(16-39(25(40)20(27)5)24-18(3)7-6-8-19(24)4)26(41)37-23-12-21(28(31,32)33)11-22(13-23)29(34,35)36/h6-8,11-13,17,20H,9-10,14-16H2,1-5H3,(H,37,41)/t20-,27-/m1/s1
PubChem CID89799786
ChEMBLCHEMBL3933822
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
537483Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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