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Ligand

NameCHEMBL3898515
Molecular formulaC29H32F7N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[[cyclopropylmethyl(2-fluoroethyl)amino]methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight587.583
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL15251151
Inchi KeyKLYYZBJJPKFALE-XHCCPWGMSA-N
Inchi IDInChI=1S/C29H32F7N3O2/c1-17-5-4-6-18(2)24(17)39-16-27(19(3)25(39)40,15-38(10-9-30)14-20-7-8-20)26(41)37-23-12-21(28(31,32)33)11-22(13-23)29(34,35)36/h4-6,11-13,19-20H,7-10,14-16H2,1-3H3,(H,37,41)/t19-,27-/m1/s1
PubChem CID89799796
ChEMBLCHEMBL3898515
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
540410Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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