| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2287064
Max Phase: Preclinical
Molecular Formula: C11H10Cl2N2O2
Molecular Weight: 273.12
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C#CCOc1c(Cl)cc(N/C=N/OC)cc1Cl
Standard InChI: InChI=1S/C11H10Cl2N2O2/c1-3-4-17-11-9(12)5-8(6-10(11)13)14-7-15-16-2/h1,5-7H,4H2,2H3,(H,14,15)
Standard InChI Key: VOPAGMQVZGBJDT-UHFFFAOYSA-N
Associated Targets(non-human)
Cercospora beticola 433 Activities
Botrytis cinerea 4183 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 273.12 | Molecular Weight (Monoisotopic): 272.0119 | AlogP: 3.01 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.85 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.48 | CX LogP: 2.83 | CX LogD: 2.83 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.39 | Np Likeness Score: -1.34 |
References
| 1. NAKATA A, HASHIMOTO S, SANO S, HAYAKAWA K. (1992) Fungitoxic Properties of N-Phenylformamidoximes in Control of Benzimidazole-Resistant Isolates of Fungi, 17 (4): [10.1584/jpestics.17.4_243] |
Source
Source(1):