| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2287901
Max Phase: Preclinical
Molecular Formula: C16H20N2O3
Molecular Weight: 288.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C(=O)COc1cc(C(C)(C)C)no1)c1ccccc1
Standard InChI: InChI=1S/C16H20N2O3/c1-16(2,3)13-10-15(21-17-13)20-11-14(19)18(4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
Standard InChI Key: IZFKKAUPUPOFBQ-UHFFFAOYSA-N
Associated Targets(non-human)
Amaranthus viridis 153 Activities
Persicaria lapathifolia 57 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Digitaria ciliaris 285 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: 288.35 | Molecular Weight (Monoisotopic): 288.1474 | AlogP: 3.01 | #Rotatable Bonds: 4 |
| Polar Surface Area: 55.57 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.62 | CX Basic pKa: 0.58 | CX LogP: 2.98 | CX LogD: 2.98 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.87 | Np Likeness Score: -1.54 |
References
| 1. KAI H, HORITA Y, MIKI N, IDE K, TAKASE A. (1998) Synthesis and Herbicidal Activities of 2-(5-Isoxazolyloxy)-acetamide Derivatives, 23 (3): [10.1584/jpestics.23.255] |
Source
Source(1):