ID: ALA2288456
Chembl Id: CHEMBL2288456
PubChem CID: 15915333
Max Phase: Preclinical
Molecular Formula: C11H15NOS2
Molecular Weight: 241.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CSc1ccc(OC(=S)N(C)C)cc1C
Standard InChI: InChI=1S/C11H15NOS2/c1-8-7-9(5-6-10(8)15-4)13-11(14)12(2)3/h5-7H,1-4H3
Standard InChI Key: HASFTFQEQMDEPA-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: 241.38 | Molecular Weight (Monoisotopic): 241.0595 | AlogP: 2.94 | #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: 3.73 | CX LogD: 3.73 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.58 | Np Likeness Score: -1.08 |
| 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):
