Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A10BB05
UNII 9LT1BRO48Q
EPA CompTox DTXSID3021358

Structure

InChI Key OUDSBRTVNLOZBN-UHFFFAOYSA-N
Smiles Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
InChI
InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H21N3O3S
Molecular Weight 311.41
AlogP 1.77
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 21.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 1, Kir6.2 blocker BLOCKER PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 109.61-121.06

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
ChEBI 9613
ChEMBL CHEMBL817
DrugBank DB00839
DrugCentral 2694
FDA SRS 9LT1BRO48Q
Human Metabolome Database HMDB0014977
Guide to Pharmacology 6847
PharmGKB PA164774902
PubChem 5503
SureChEMBL SCHEMBL34417
ZINC ZINC000000057512