Structure

InChI Key BOVGTQGAOIONJV-UHFFFAOYSA-N
Smiles Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1
InChI
InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O3S
Molecular Weight 323.42
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 78.51
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 106.3-113.32
Mus musculus
- - - - 17.4
Rattus norvegicus
- - - - 27.7-135

Related Entries

Cross References

Resources Reference
ChEBI 31654
ChEMBL CHEMBL427216
DrugCentral 1299
FDA SRS G4PX8C4HKV
Human Metabolome Database HMDB0015252
PharmGKB PA10892
PubChem 667431
SureChEMBL SCHEMBL16387