| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2230064
Max Phase: Preclinical
Molecular Formula: C18H16Cl4N2
Molecular Weight: 402.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1cccc(Cl)c1/C=N/CCCC/N=C/c1c(Cl)cccc1Cl
Standard InChI: InChI=1S/C18H16Cl4N2/c19-15-5-3-6-16(20)13(15)11-23-9-1-2-10-24-12-14-17(21)7-4-8-18(14)22/h3-8,11-12H,1-2,9-10H2/b23-11+,24-12+
Standard InChI Key: NFHDLTGVMUGPIB-ASIDMNOUSA-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 |
|---|
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: 402.15 | Molecular Weight (Monoisotopic): 400.0068 | AlogP: 6.62 | #Rotatable Bonds: 7 |
| 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: 5.09 | CX LogP: 6.67 | CX LogD: 6.66 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.37 | Np Likeness Score: -0.48 |
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):