ID: ALA2288450
Chembl Id: CHEMBL2288450
PubChem CID: 302777
Max Phase: Preclinical
Molecular Formula: C14H12ClNO2
Molecular Weight: 261.71
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1cc(OC(=O)Nc2ccccc2)ccc1Cl
Standard InChI: InChI=1S/C14H12ClNO2/c1-10-9-12(7-8-13(10)15)18-14(17)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
Standard InChI Key: MVKNCYIMYQTRHZ-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: 261.71 | Molecular Weight (Monoisotopic): 261.0557 | AlogP: 4.26 | #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: 12.86 | CX Basic pKa: ┄ | CX LogP: 4.61 | CX LogD: 4.61 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.88 | Np Likeness Score: -1.47 |
| 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):
