| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2230054
Max Phase: Preclinical
Molecular Formula: C13H8Cl2FN
Molecular Weight: 268.12
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1
Standard InChI: InChI=1S/C13H8Cl2FN/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-8H/b17-8+
Standard InChI Key: PVVWGNIOVJHTDJ-CAOOACKPSA-N
Associated Targets(non-human)
Macrophomina phaseolina 474 Activities
Athelia rolfsii 768 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 268.12 | Molecular Weight (Monoisotopic): 267.0018 | AlogP: 4.88 | #Rotatable Bonds: 2 |
| Polar Surface Area: 12.36 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.41 | CX LogP: 5.20 | CX LogD: 5.20 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.69 | Np Likeness Score: -1.70 |
References
| 1. Aggarwal N, Kumar R, Dureja P, Rawat DS.. (2009) Schiff bases as potential fungicides and nitrification inhibitors., 57 (18): [PMID:19702271] [10.1021/jf902035w] |
Source
Source(1):