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Ligand

NameCHEMBL3904343
Molecular formulaC29H33F6N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[[cyclopropylmethyl(ethyl)amino]methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight569.592
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL15251234
Inchi KeyKPDHEDRFHJXZNI-XHCCPWGMSA-N
Inchi IDInChI=1S/C29H33F6N3O2/c1-5-37(14-20-9-10-20)15-27(16-38(25(39)19(27)4)24-17(2)7-6-8-18(24)3)26(40)36-23-12-21(28(30,31)32)11-22(13-23)29(33,34)35/h6-8,11-13,19-20H,5,9-10,14-16H2,1-4H3,(H,36,40)/t19-,27-/m1/s1
PubChem CID89799858
ChEMBLCHEMBL3904343
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
540477Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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