Structure

InChI Key ZFMITUMMTDLWHR-UHFFFAOYSA-N
Smiles Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]
InChI
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N5O
Molecular Weight 209.25
AlogP -0.13
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 95.11
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 2, Kir6.2 opener OPENER PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 92.39-93.9

Target Conservation

Protein: Sulfonylurea receptor 2, Kir6.2

Description: ATP-binding cassette sub-family C member 9

Organism : Homo sapiens

O60706 ENSG00000069431
Protein: Sulfonylurea receptor 2, Kir6.2

Description: ATP-sensitive inward rectifier potassium channel 11

Organism : Homo sapiens

Q14654 ENSG00000187486

Cross References

Resources Reference
ChEBI 6942
ChEMBL CHEMBL802
DrugBank DB00350
DrugCentral 1814
FDA SRS 5965120SH1
Human Metabolome Database HMDB0014494
Guide to Pharmacology 4254
KEGG D00418
PDB MXD
SureChEMBL SCHEMBL29698
ZINC ZINC000000001735