| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2286156
Max Phase: Preclinical
Molecular Formula: C20H19ClN4O2
Molecular Weight: 382.85
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO/N=C(\c1ccccc1/C=N/OCc1ccc(Cl)cc1)c1nccn1C
Standard InChI: InChI=1S/C20H19ClN4O2/c1-25-12-11-22-20(25)19(24-26-2)18-6-4-3-5-16(18)13-23-27-14-15-7-9-17(21)10-8-15/h3-13H,14H2,1-2H3/b23-13+,24-19+
Standard InChI Key: AGUXXUPYKDQBNC-JUDCTDMSSA-N
Associated Targets(non-human)
Podosphaera fuliginea 1057 Activities
Pseudoperonospora cubensis 1623 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: 382.85 | Molecular Weight (Monoisotopic): 382.1197 | AlogP: 4.02 | #Rotatable Bonds: 7 |
| Polar Surface Area: 61.00 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.62 | CX LogP: 4.73 | CX LogD: 4.73 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.46 | Np Likeness Score: -1.31 |
References
| 1. KAI H, NAKAI T, TOMIDA M, KUMANO K, ICHIBA T. (2001) Synthesis and Fungicidal Activities of 2-(-Methoxyiminobenzyl)-1-methylimidazole Derivatives, 26 (2): [10.1584/jpestics.26.169] |
Source
Source(1):