| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2287451
Max Phase: Preclinical
Molecular Formula: C16H15ClN4
Molecular Weight: 298.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C(=N\C#N)N(Cc1ccccc1)Cc1ccc(Cl)nc1
Standard InChI: InChI=1S/C16H15ClN4/c1-13(20-12-18)21(10-14-5-3-2-4-6-14)11-15-7-8-16(17)19-9-15/h2-9H,10-11H2,1H3/b20-13+
Standard InChI Key: WKOHAWIGHSNTOJ-DEDYPNTBSA-N
Associated Targets(non-human)
Abdominal central nerve cord 25 Activities
Musca domestica 713 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Periplaneta americana 513 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: 298.78 | Molecular Weight (Monoisotopic): 298.0985 | AlogP: 3.64 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.28 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.16 | CX LogP: 2.84 | CX LogD: 2.84 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.37 | Np Likeness Score: -1.37 |
References
| 1. KIRIYAMA K, ITAZU Y, KAGABU S, NISHIMURA K. (2003) Insecticidal and Neuroblocking Activities of Acetamiprid and Related Compounds, 28 (1): [10.1584/jpestics.28.8] |
Source
Source(1):