| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2230057
Max Phase: Preclinical
Molecular Formula: C11H7Cl2NO
Molecular Weight: 240.09
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1cccc(Cl)c1/C=N/c1ccco1
Standard InChI: InChI=1S/C11H7Cl2NO/c12-9-3-1-4-10(13)8(9)7-14-11-5-2-6-15-11/h1-7H/b14-7+
Standard InChI Key: KDNDHQYSWCUXBW-VGOFMYFVSA-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: 240.09 | Molecular Weight (Monoisotopic): 238.9905 | AlogP: 4.34 | #Rotatable Bonds: 2 |
| Polar Surface Area: 25.50 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.29 | CX LogD: 4.29 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.72 | Np Likeness Score: -1.06 |
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):