| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4759231
Max Phase: Preclinical
Molecular Formula: C13H9NO6
Molecular Weight: 275.22
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=c1c2cc(O)c(O)c(O)c2[nH]c2cc(O)cc(O)c12
Standard InChI: InChI=1S/C13H9NO6/c15-4-1-6-9(7(16)2-4)11(18)5-3-8(17)12(19)13(20)10(5)14-6/h1-3,15-17,19-20H,(H,14,18)
Standard InChI Key: OABKNXPPQWGEBD-UHFFFAOYSA-N
Associated Targets(non-human)
Trichophyton rubrum 3646 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 275.22 | Molecular Weight (Monoisotopic): 275.0430 | AlogP: 1.21 | #Rotatable Bonds: 0 |
| Polar Surface Area: 134.01 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.46 | CX Basic pKa: | CX LogP: 3.33 | CX LogD: 3.03 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.27 | Np Likeness Score: 1.32 |
References
| 1. Rząd K,Paluszkiewicz E,Gabriel I. (2021) A new 1-nitro-9-aminoacridine derivative targeting yeast topoisomerase II able to overcome fluconazole-resistance., 35 [PMID:33486051] [10.1016/j.bmcl.2021.127815] |
Source
Source(1):