ID: ALA2288455
Chembl Id: CHEMBL2288455
PubChem CID: 20434305
Max Phase: Preclinical
Molecular Formula: C10H12N2O3S
Molecular Weight: 240.28
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1cc(OC(=S)N(C)C)ccc1[N+](=O)[O-]
Standard InChI: InChI=1S/C10H12N2O3S/c1-7-6-8(15-10(16)11(2)3)4-5-9(7)12(13)14/h4-6H,1-3H3
Standard InChI Key: GNOIARBGNCHSDR-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 240.28 | Molecular Weight (Monoisotopic): 240.0569 | AlogP: 2.13 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.61 | Molecular Species: ┄ | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.04 | CX LogD: 3.04 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.45 | Np Likeness Score: -1.39 |
| 1. KONNO Y, SHISHIDO T. (1990) Aryl N, N-Dimethylcarbamates, Synergists for Organophosphorus Insecticides against Organophos-phorusresistant Rice Stem Borers, 15 (2): [10.1584/jpestics.15.175] |
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