Structure

InChI Key OETHQSJEHLVLGH-UHFFFAOYSA-N
Smiles CN(C)C(=N)NC(=N)N.Cl
InChI
InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12ClN5
Molecular Weight 165.63
AlogP -1.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Polar Surface Area 88.99
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Mechanism of Action Action Reference
Mitochondrial complex I (NADH dehydrogenase) inhibitor INHIBITOR PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.78-103.98

Cross References

Resources Reference
ChEBI 6802
ChEMBL CHEMBL1703
FDA SRS 786Z46389E
KEGG C07670
PubChem 14219
SureChEMBL SCHEMBL20140191
ZINC ZINC03798537