| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
FLURIDONE
ID: ALA2286104
Max Phase: Preclinical
Molecular Formula: C18H12F3NO
Molecular Weight: 315.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c(-c2ccccc2)c[nH]cc1-c1cccc(C(F)(F)F)c1
Standard InChI: InChI=1S/C18H12F3NO/c19-18(20,21)14-8-4-7-13(9-14)16-11-22-10-15(17(16)23)12-5-2-1-3-6-12/h1-11H,(H,22,23)
Standard InChI Key: IBMFYIVDYOTODR-UHFFFAOYSA-N
Associated Targets(non-human)
Nicotiana tabacum 382 Activities
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: 315.29 | Molecular Weight (Monoisotopic): 315.0871 | AlogP: 4.73 | #Rotatable Bonds: 2 |
| Polar Surface Area: 32.86 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.96 | CX Basic pKa: | CX LogP: 4.49 | CX LogD: 4.49 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.73 | Np Likeness Score: -0.59 |
References
| 1. BOGER P. (1996) Mode of Action of Herbicides Affecting Carotenogenesis, 21 (4): [10.1584/jpestics.21.473] |
Source
Source(1):