| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288517
Max Phase: Preclinical
Molecular Formula: C7H13N3O2S
Molecular Weight: 203.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CSCCN1CCN/C1=C\[N+](=O)[O-]
Standard InChI: InChI=1S/C7H13N3O2S/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6+
Standard InChI Key: MDEZYMCFWAWAPT-VOTSOKGWSA-N
Associated Targets(non-human)
Acetylcholine receptor protein alpha chain 109 Activities
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: 203.27 | Molecular Weight (Monoisotopic): 203.0728 | AlogP: 0.33 | #Rotatable Bonds: 4 |
| Polar Surface Area: 58.41 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.51 | CX LogP: 0.82 | CX LogD: 0.82 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.53 | Np Likeness Score: -1.05 |
References
| 1. TOMIZAWA M, OTSUKA H, MIYAMOTO T, YAMAMOTO I. (1995) Pharmacological Effects of Imidacloprid and Its Related Compounds on the Nicotinic Acetyicholine Receptor with Its Ion Channel from the Torpedo Electric Organ, 20 (1): [10.1584/jpestics.20.49] |
Source
Source(1):