Structure

InChI Key JLRGJRBPOGGCBT-UHFFFAOYSA-N
Smiles CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChI
InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O3S
Molecular Weight 270.35
AlogP 1.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 75.27
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 1, Kir6.2 blocker BLOCKER PubMed PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 99.86-125.25
Homo sapiens
- - - - 5.8-87.68
Mus musculus
- - - - 45-47.23
Rattus norvegicus
- - - - 16-48

Target Conservation

Protein: Sulfonylurea receptor 1, Kir6.2

Description: ATP-binding cassette sub-family C member 8

Organism : Homo sapiens

Q09428 ENSG00000006071
Protein: Sulfonylurea receptor 1, Kir6.2

Description: ATP-sensitive inward rectifier potassium channel 11

Organism : Homo sapiens

Q14654 ENSG00000187486

Related Entries

Cross References

Resources Reference
CAS NUMBER 64-77-7
ChEBI 27999
ChEMBL CHEMBL782
DrugBank DB01124
DrugCentral 2696
FDA SRS 982XCM1FOI
Human Metabolome Database HMDB0015256
Guide to Pharmacology 6848
KEGG C07148
PharmGKB PA451718
PubChem 5505
SureChEMBL SCHEMBL15918
ZINC ZINC000001530703