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Ligand

NameCHEMBL480601
Molecular formulaC21H28F3N3O3S
IUPAC name1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanesulfonamide
Molecular weight459.528
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50412593
Inchi KeyAFNJCMOFGZACSP-JLTOFOAXSA-N
Inchi IDInChI=1S/C21H28F3N3O3S/c1-19(2)14-5-8-20(19,17(28)11-14)13-31(29,30)26-16-6-9-27(10-7-16)18-4-3-15(12-25-18)21(22,23)24/h3-4,12,14,16,26H,5-11,13H2,1-2H3/t14-,20-/m1/s1
PubChem CID44570629
ChEMBLCHEMBL480601
IUPHARN/A
BindingDB50412593
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4296C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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