| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287139
Max Phase: Preclinical
Molecular Formula: C10H9NO
Molecular Weight: 159.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C=C1/C(=O)Nc2ccccc21
Standard InChI: InChI=1S/C10H9NO/c1-2-7-8-5-3-4-6-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)/b7-2+
Standard InChI Key: OXFIOEDMLFSOAN-FARCUNLSSA-N
Associated Targets(non-human)
Colletotrichum gloeosporioides 560 Activities
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: 159.19 | Molecular Weight (Monoisotopic): 159.0684 | AlogP: 2.04 | #Rotatable Bonds: 0 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.39 | CX Basic pKa: | CX LogP: 2.05 | CX LogD: 2.05 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.58 | Np Likeness Score: 0.33 |
References
| 1. UENO T, MIYAGAWA H, TSURUSHIMA T, INOUE M. (1997) Spore Germination Self-Inhibitors from Plant Pathogenic Fungi, 22 (4): [10.1584/jpestics.22.342] |
Source
Source(1):