| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2271981
Max Phase: Preclinical
Molecular Formula: C21H15NO
Molecular Weight: 297.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1ccccc1)n1c(-c2ccccc2)cc2ccccc21
Standard InChI: InChI=1S/C21H15NO/c23-21(17-11-5-2-6-12-17)22-19-14-8-7-13-18(19)15-20(22)16-9-3-1-4-10-16/h1-15H
Standard InChI Key: UKOGCJMDGNDYFS-UHFFFAOYSA-N
Associated Targets(non-human)
Macrophomina phaseolina 474 Activities
Rhizoctonia solani 2251 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Globisporangium debaryanum 107 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Fusarium culmorum 260 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: 297.36 | Molecular Weight (Monoisotopic): 297.1154 | AlogP: 5.00 | #Rotatable Bonds: 2 |
| Polar Surface Area: 22.00 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.81 | CX LogD: 4.81 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.51 | Np Likeness Score: -0.66 |
References
| 1. Abdel-Aty AS. (2010) Fungicidal activity of indole derivatives against some plant pathogenic fungi, 35 (4): [10.1584/jpestics.G09-66] |
Source
Source(1):