UNII MQD255M2ZO
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key NNFCIKHAZHQZJG-UHFFFAOYSA-N
Smiles [K+].[C-]#N
InChI
InChI=1S/CN.K/c1-2;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula CKN
Molecular Weight 65.12
AlogP 0.1
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 23.79
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 2.0
Assay Description Organism Bioactivity Reference
Inhibition of xanthine oxidase at IC50 concentration None 6.0 %
Inhibition of xanthine oxidase None 1000000.0 nM
Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol Oryctolagus cuniculus 69000.0 nM
Inhibition of Agaricus bisporus (mushroom) tyrosinase Agaricus bisporus 24000.0 nM
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as decrease in rate of oxygen consumption at 1 mM by Clark-type oxygen electrode recording analysis in presence of succinate and 2 mM mitochondrial alternative oxidase inhibitor, SHAM (Rvb = 0%) Botryotinia fuckeliana 100.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as decrease in rate of oxygen consumption at 1 mM by Clark-type oxygen electrode recording analysis in presence of glucose and 2 mM mitochondrial alternative oxidase inhibitor, SHAM (Rvb = 0%) Botryotinia fuckeliana 100.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as decrease in rate of oxygen consumption at 1 mM by Clark-type oxygen electrode recording analysis in presence of succinate (Rvb = 0%) Botryotinia fuckeliana 46.0 %
Inhibition of respiratory activity in Botryotinia fuckeliana mycelium assessed as decrease in rate of oxygen consumption at 1 mM by Clark-type oxygen electrode recording analysis in presence of glucose (Rvb = 0%) Botryotinia fuckeliana 35.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2228308
FDA SRS MQD255M2ZO
PubChem 9032
SureChEMBL SCHEMBL1284