ID: ALA2288453
Chembl Id: CHEMBL2288453
PubChem CID: 22909137
Max Phase: Preclinical
Molecular Formula: C10H13NOS2
Molecular Weight: 227.35
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CSc1ccc(OC(=S)N(C)C)cc1
Standard InChI: InChI=1S/C10H13NOS2/c1-11(2)10(13)12-8-4-6-9(14-3)7-5-8/h4-7H,1-3H3
Standard InChI Key: LUAMMWNWVCAWJT-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: 227.35 | Molecular Weight (Monoisotopic): 227.0439 | AlogP: 2.63 | #Rotatable Bonds: 2 |
| Polar Surface Area: 12.47 | Molecular Species: ┄ | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.57 | Np Likeness Score: -1.21 |
| 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] |
Source(1):
