| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288727
Max Phase: Preclinical
Molecular Formula: C13H14N2O3
Molecular Weight: 246.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1ccc2oc(N)c(C(N)=O)c(=O)c2c1
Standard InChI: InChI=1S/C13H14N2O3/c1-6(2)7-3-4-9-8(5-7)11(16)10(12(14)17)13(15)18-9/h3-6H,15H2,1-2H3,(H2,14,17)
Standard InChI Key: GECVFTJLNZTVTM-UHFFFAOYSA-N
Associated Targets(non-human)
Pyricularia oryzae 1832 Activities
Fusarium fujikuroi 210 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rhizoctonia solani 2251 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nakataea oryzae 97 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Bipolaris oryzae 287 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: 246.27 | Molecular Weight (Monoisotopic): 246.1004 | AlogP: 1.60 | #Rotatable Bonds: 2 |
| Polar Surface Area: 99.32 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.19 | CX LogD: 1.19 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.84 | Np Likeness Score: -0.14 |
References
| 1. KONISHI K, KURAGANO T, NOHARA A. (1990) Fungicidal Activity of 2-Aminochromone-3-carboxamides, 15 (2): [10.1584/jpestics.15.241] |
Source
Source(1):