Structure

InChI Key ZWJINEZUASEZBH-UHFFFAOYSA-N
Smiles O=C(O)c1ccccc1Nc1ccccc1
InChI
InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11NO2
Molecular Weight 213.24
AlogP 3.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 38-87 -
Enzyme Oxidoreductase
- 440-440 - - -
Enzyme
- 440-440 - 38-87 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cryptococcus neoformans
- - - 87 -
Homo sapiens
- - - 38-50 -
Rattus norvegicus
- - - - 28

Related Entries

Cross References

Resources Reference
ChEBI 34756
ChEMBL CHEMBL23832
FDA SRS 952VN06WBB
Guide to Pharmacology 4182
KEGG C13697
PDB EHO
SureChEMBL SCHEMBL25828
ZINC ZINC000000154642