| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2230058
Max Phase: Preclinical
Molecular Formula: C17H14Cl4N2
Molecular Weight: 388.12
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(/C=N/CCC/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1
Standard InChI: InChI=1S/C17H14Cl4N2/c18-14-4-2-12(16(20)8-14)10-22-6-1-7-23-11-13-3-5-15(19)9-17(13)21/h2-5,8-11H,1,6-7H2/b22-10+,23-11+
Standard InChI Key: KCHIDPOKMNEUGL-CZGKVYIXSA-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: 388.12 | Molecular Weight (Monoisotopic): 385.9911 | AlogP: 6.23 | #Rotatable Bonds: 6 |
| Polar Surface Area: 24.72 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.35 | CX LogP: 6.15 | CX LogD: 6.14 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.41 | Np Likeness Score: -0.74 |
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):