| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3905356
Max Phase: Preclinical
Molecular Formula: C11H8N2O
Molecular Weight: 184.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [O-][n+]1ccc2c(c1)[nH]c1ccccc12
Standard InChI: InChI=1S/C11H8N2O/c14-13-6-5-9-8-3-1-2-4-10(8)12-11(9)7-13/h1-7,12H
Standard InChI Key: NLIGLIWSVGKWEM-UHFFFAOYSA-N
Associated Targets(non-human)
Meriones unguiculatus 417 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: 184.20 | Molecular Weight (Monoisotopic): 184.0637 | AlogP: 1.95 | #Rotatable Bonds: 0 |
| Polar Surface Area: 42.73 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.41 | CX Basic pKa: 1.53 | CX LogP: 0.61 | CX LogD: 0.61 |
| Aromatic Rings: 3 | Heavy Atoms: 14 | QED Weighted: 0.42 | Np Likeness Score: 0.06 |
References
| 1. Sasaki T, Li W, Ohmoto T, Koike K.. (2016) Evaluation of canthinone alkaloids as cerebral protective agents., 26 (20): [PMID:27623547] [10.1016/j.bmcl.2016.09.006] |
Source
Source(1):