ID: ALA2288445
Chembl Id: CHEMBL2288445
Cas Number: 19188-90-0
PubChem CID: 146476
Max Phase: Preclinical
Molecular Formula: C13H13NO2
Molecular Weight: 215.25
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNC(=O)Oc1cccc2ccccc12
Standard InChI: InChI=1S/C13H13NO2/c1-2-14-13(15)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,14,15)
Standard InChI Key: CAYISWBEXVUXRO-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: 215.25 | Molecular Weight (Monoisotopic): 215.0946 | AlogP: 2.95 | #Rotatable Bonds: 2 |
| Polar Surface Area: 38.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.82 | CX LogD: 2.82 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.84 | Np Likeness Score: -0.71 |
| 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):
