ID: ALA2288443
Chembl Id: CHEMBL2288443
PubChem CID: 76309295
Max Phase: Preclinical
Molecular Formula: C11H15NO2S
Molecular Weight: 225.31
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNC(=O)Oc1ccc(SC)c(C)c1
Standard InChI: InChI=1S/C11H15NO2S/c1-4-12-11(13)14-9-5-6-10(15-3)8(2)7-9/h5-7H,4H2,1-3H3,(H,12,13)
Standard InChI Key: LHXKRLOWAHDXKF-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: 225.31 | Molecular Weight (Monoisotopic): 225.0823 | AlogP: 2.83 | #Rotatable Bonds: 3 |
| Polar Surface Area: 38.33 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.97 | CX LogD: 2.97 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.80 | Np Likeness Score: -1.15 |
| 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):
