| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3968442
Max Phase: Preclinical
Molecular Formula: C15H9BrN2O2
Molecular Weight: 329.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1ccc2c3n(c(=O)c(=O)cc1-3)c1ccc(Br)cc21
Standard InChI: InChI=1S/C15H9BrN2O2/c1-17-5-4-9-10-6-8(16)2-3-11(10)18-14(9)12(17)7-13(19)15(18)20/h2-7H,1H3
Standard InChI Key: OXSNYKNYWGEOGI-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: 329.15 | Molecular Weight (Monoisotopic): 327.9847 | AlogP: 2.46 | #Rotatable Bonds: 0 |
| Polar Surface Area: 43.48 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.23 | CX LogD: 2.23 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.47 | Np Likeness Score: -0.20 |
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):