| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269900
Max Phase: Preclinical
Molecular Formula: C18H13NO3
Molecular Weight: 291.31
Associated Items:
Representations
Canonical SMILES: COc1ccc2ccn(-c3cc(=O)c4ccccc4o3)c2c1
Standard InChI: InChI=1S/C18H13NO3/c1-21-13-7-6-12-8-9-19(15(12)10-13)18-11-16(20)14-4-2-3-5-17(14)22-18/h2-11H,1H3
Standard InChI Key: KHDXDECWYDHLIO-UHFFFAOYSA-N
Associated Targets(Human)
Monoamine oxidase B 8835 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: 291.31 | Molecular Weight (Monoisotopic): 291.0895 | AlogP: 3.75 | #Rotatable Bonds: 2 |
| Polar Surface Area: 44.37 | 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: 3.93 | CX LogD: 3.93 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.56 | Np Likeness Score: -0.26 |
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):