N-(5-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-METHOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)METHANESULFONAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key FFEGDIRNHJDART-UHFFFAOYSA-N
Smiles COc1ccc2C(CCCc2c1NS(=O)(=O)C)C3=NCCN3
InChI
InChI=1S/C15H21N3O3S/c1-21-13-7-6-10-11(14(13)18-22(2,19)20)4-3-5-12(10)15-16-8-9-17-15/h6-7,12,18H,3-5,8-9H2,1-2H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O3S
Molecular Weight 323.41
AlogP 1.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 88.17
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 616.6-3467.37 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetinae
- - - 3467.37 -
Rattus norvegicus
- - - 616.6-1548.82 -

Cross References

Resources Reference
ChEMBL CHEMBL2261353
PubChem 19968568
SureChEMBL SCHEMBL8856947
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