ID: ALA2288441
Chembl Id: CHEMBL2288441
PubChem CID: 76327437
Max Phase: Preclinical
Molecular Formula: C10H10N2O2
Molecular Weight: 190.20
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNC(=O)Oc1ccc(C#N)cc1
Standard InChI: InChI=1S/C10H10N2O2/c1-2-12-10(13)14-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3,(H,12,13)
Standard InChI Key: KNWFOTZXFDZHFF-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: 190.20 | Molecular Weight (Monoisotopic): 190.0742 | AlogP: 1.67 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.12 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 1.68 | CX LogD: 1.68 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.77 | 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] |
Source(1):
