| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA591273
Max Phase: Preclinical
Molecular Formula: C11H10N2O2
Molecular Weight: 202.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1cnc(-c2ccccc2)o1
Standard InChI: InChI=1S/C11H10N2O2/c1-8(14)13-10-7-12-11(15-10)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
Standard InChI Key: NFIMCSVDAGIFPZ-UHFFFAOYSA-N
Associated Targets(Human)
Skin 286 Activities
Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 202.21 | Molecular Weight (Monoisotopic): 202.0742 | AlogP: 2.30 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.13 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.01 | CX Basic pKa: | CX LogP: 1.27 | CX LogD: 1.18 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.81 | Np Likeness Score: -1.11 |
References
| 1. Lee PH, Conradi R, Shanmugasundaram V.. (2010) Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay., 20 (1): [PMID:19963379] [10.1016/j.bmcl.2009.11.039] |
Source
Source(1):