Structure

InChI Key ZJJXGWJIGJFDTL-UHFFFAOYSA-N
Smiles Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
InChI
InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27N5O4S
Molecular Weight 445.55
AlogP 2.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 130.15
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 1, Kir6.2 blocker BLOCKER PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - -12.7-25.2
Rattus norvegicus
- - - 8.2 -

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

Cross References

Resources Reference
ChEBI 5384
ChEMBL CHEMBL1073
DrugBank DB01067
DrugCentral 1301
FDA SRS X7WDT95N5C
Human Metabolome Database HMDB0015200
Guide to Pharmacology 6821
PharmGKB PA449762
PubChem 3478
SureChEMBL SCHEMBL17094
ZINC ZINC000000537795