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Ligand

NameCHEMBL459742
Molecular formulaC20H26F3N3O3S
IUPAC name(1R,4R)-7,7-dimethyl-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
Molecular weight445.501
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50412595
ZINC100080115
Inchi KeyBYVPYJYHCMIHMK-KUHUBIRLSA-N
Inchi IDInChI=1S/C20H26F3N3O3S/c1-18(2)14-5-6-19(18,16(27)11-14)13-30(28,29)26-9-7-25(8-10-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,12,14H,5-11,13H2,1-2H3/t14-,19+/m1/s1
PubChem CID44569941
ChEMBLCHEMBL459742
IUPHARN/A
BindingDB50412595
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
36136C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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