| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288061
Max Phase: Preclinical
Molecular Formula: C17H24ClNO2
Molecular Weight: 309.84
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCN(C(=O)CCl)C(=C(C)C)c1cc(C)ccc1C
Standard InChI: InChI=1S/C17H24ClNO2/c1-12(2)17(15-10-13(3)6-7-14(15)4)19(8-9-21-5)16(20)11-18/h6-7,10H,8-9,11H2,1-5H3
Standard InChI Key: BFQQNBMZFRTWOF-UHFFFAOYSA-N
Associated Targets(non-human)
Pontederia vaginalis 622 Activities
Schoenoplectiella juncoides 1014 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cyperus difformis 556 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Echinochloa oryzicola 1513 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: 309.84 | Molecular Weight (Monoisotopic): 309.1496 | AlogP: 3.77 | #Rotatable Bonds: 6 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.51 | CX LogD: 3.51 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.75 | Np Likeness Score: -0.82 |
References
| 1. OKAMOTO H, KATO S, KOBUTANI T, OGASAWARA M, KONNAI M, TAKEMATSU T. (1991) Herbicidally Active N-(1-Arylethenyl)-2-chloroacetamides Bearing an Alkyloxyalkyl Moiety., 55 (11): [10.1271/bbb1961.55.2737] |
Source
Source(1):