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ID: ALA5270908
Max Phase: Preclinical
Molecular Formula: C19H12O5
Molecular Weight: 320.30
Associated Items:
Representations
Canonical SMILES: COc1ccc(-c2cc3cc4c(=O)c(C=O)coc4cc3o2)cc1
Standard InChI: InChI=1S/C19H12O5/c1-22-14-4-2-11(3-5-14)16-7-12-6-15-18(8-17(12)24-16)23-10-13(9-20)19(15)21/h2-10H,1H3
Standard InChI Key: XAYKMQRPZRNJNL-UHFFFAOYSA-N
Associated Targets(Human)
Arachidonate 5-lipoxygenase 6568 Activities
Arachidonate 15-lipoxygenase 7108 Activities
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Acetylcholinesterase 18204 Activities
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Butyrylcholinesterase 7174 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 320.30 | Molecular Weight (Monoisotopic): 320.0685 | AlogP: 4.03 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.65 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.67 | CX LogD: 2.67 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.53 | Np Likeness Score: 0.35 |
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):