PHENAZINE-1-CARBOXYLIC ACID

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
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 JGCSKOVQDXEQHI-UHFFFAOYSA-N
Smiles OC(=O)c1cccc2nc3ccccc3nc12
InChI
InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H8N2O2
Molecular Weight 224.21
AlogP 2.69
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 63.08
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 17.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Alternaria solani
- - - - 100
Botryosphaeria berengeriana
- - - - 100
Fusarium graminearum
- - - - 43.1
Fusarium oxysporum
- - - - 65.4
Mycosphaerella arachidis
- - - - 92.3

Cross References

Resources Reference
ChEMBL CHEMBL463686
PubChem 95069
SureChEMBL SCHEMBL122864
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