| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ACETAMIDINE
ID: ALA2227684
Max Phase: Preclinical
Molecular Formula: C2H6N2
Molecular Weight: 58.08
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=N)N
Standard InChI: InChI=1S/C2H6N2/c1-2(3)4/h1H3,(H3,3,4)
Standard InChI Key: OQLZINXFSUDMHM-UHFFFAOYSA-N
Associated Targets(non-human)
Vitis vinifera 99 Activities
Zea mays 820 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Gossypium hirsutum 233 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: 58.08 | Molecular Weight (Monoisotopic): 58.0531 | AlogP: -0.06 | #Rotatable Bonds: 0 |
| Polar Surface Area: 49.87 | Molecular Species: BASE | HBA: 1 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 12.99 | CX LogP: -0.96 | CX LogD: -3.38 |
| Aromatic Rings: 0 | Heavy Atoms: 4 | QED Weighted: 0.30 | Np Likeness Score: 0.53 |
References
| 1. Ford KA, Gulevich AG, Swenson TL, Casida JE.. (2011) Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition., 59 (9): [PMID:21476569] [10.1021/jf200485k] |
Source
Source(1):