| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4570954
Max Phase: Preclinical
Molecular Formula: C15H12FNO
Molecular Weight: 241.26
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ccccc1C(=O)/C=C/c1cccc(F)c1
Standard InChI: InChI=1S/C15H12FNO/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10H,17H2/b9-8+
Standard InChI Key: GKIODZVSUDCEMJ-CMDGGOBGSA-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: 241.26 | Molecular Weight (Monoisotopic): 241.0903 | AlogP: 3.30 | #Rotatable Bonds: 3 |
| Polar Surface Area: 43.09 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.51 | CX LogP: 3.85 | CX LogD: 3.85 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.51 | Np Likeness Score: -0.58 |
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):