| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4543280
Max Phase: Preclinical
Molecular Formula: C15H12N2O3
Molecular Weight: 268.27
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ccccc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1
Standard InChI: InChI=1S/C15H12N2O3/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(9-6-11)17(19)20/h1-10H,16H2/b10-7+
Standard InChI Key: VQJPGJYVLZUAFK-JXMROGBWSA-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: 268.27 | Molecular Weight (Monoisotopic): 268.0848 | AlogP: 3.07 | #Rotatable Bonds: 4 |
| Polar Surface Area: 86.23 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.49 | CX LogP: 3.65 | CX LogD: 3.65 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.30 | Np Likeness Score: -0.52 |
References
| 1. Jin YS.. (2019) Recent advances in natural antifungal flavonoids and their derivatives., 29 (19): [PMID:31427220] [10.1016/j.bmcl.2019.07.048] |
Source
Source(1):