Standard InChI: InChI=1S/C13H7NO3/c15-10-3-1-2-8-11(10)13(17)9-6-14-5-4-7(9)12(8)16/h1-6,15H
Standard InChI Key: WTPYJUMKMMHBPM-UHFFFAOYSA-N
Associated Targets(non-human)
Staphylococcus aureus 210822 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Aspergillus niger 16508 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Rhizopus microsporus var. chinensis 21 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Mucor mucedo 338 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Bacillus subtilis 32866 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Escherichia coli 133304 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Proteus vulgaris 5823 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Pseudomonas aeruginosa 123386 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Saccharomyces cerevisiae 19171 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Schizosaccharomyces pombe 495 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Cyberlindnera jadinii 900 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Rhodotorula mucilaginosa 339 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Properties
Molecular Weight: 225.20
Molecular Weight (Monoisotopic): 225.0426
AlogP: 1.56
#Rotatable Bonds: 0
Polar Surface Area: 67.26
Molecular Species: NEUTRAL
HBA: 4
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 4
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 8.20
CX Basic pKa: 1.99
CX LogP: 2.05
CX LogD: 1.98
Aromatic Rings: 2
Heavy Atoms: 17
QED Weighted: 0.63
Np Likeness Score: 0.77
References
1.Koyama J, Morita I, Kobayashi N, Osakai T, Usuki Y, Taniguchi M.. (2005) Structure-activity relations of azafluorenone and azaanthraquinone as antimicrobial compounds., 15 (4):[PMID:15686916][10.1016/j.bmcl.2004.12.059]
