| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266265
Max Phase: Preclinical
Molecular Formula: C12H9N3O3
Molecular Weight: 243.22
Associated Items:
Representations
Canonical SMILES: COc1ccc2oc(-n3cncn3)cc(=O)c2c1
Standard InChI: InChI=1S/C12H9N3O3/c1-17-8-2-3-11-9(4-8)10(16)5-12(18-11)15-7-13-6-14-15/h2-7H,1H3
Standard InChI Key: ZZFNVUDOVPFZFA-UHFFFAOYSA-N
Associated Targets(Human)
Monoamine oxidase A 11911 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 243.22 | Molecular Weight (Monoisotopic): 243.0644 | AlogP: 1.38 | #Rotatable Bonds: 2 |
| Polar Surface Area: 70.15 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.35 | CX LogD: 1.35 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.68 | Np Likeness Score: -0.91 |
References
| 1. Madhav H, Jameel E, Rehan M, Hoda N.. (2022) Recent advancements in chromone as a privileged scaffold towards the development of small molecules for neurodegenerative therapeutics., 13 (3.0): [PMID:35434628] [10.1039/d1md00394a] |
Source
Source(1):