| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266552
Max Phase: Preclinical
Molecular Formula: C19H20O10
Molecular Weight: 408.36
Associated Items:
Representations
Canonical SMILES: COc1cc(O)cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c1C(=O)c1cc(O)cc(O)c1
Standard InChI: InChI=1S/C19H20O10/c1-27-12-5-11(23)6-13(28-19-18(26)17(25)14(7-20)29-19)15(12)16(24)8-2-9(21)4-10(22)3-8/h2-6,14,17-23,25-26H,7H2,1H3/t14-,17-,18+,19-/m0/s1
Standard InChI Key: HXLPYFTYGLSOFA-FZDIXFNVSA-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: 408.36 | Molecular Weight (Monoisotopic): 408.1056 | AlogP: -0.14 | #Rotatable Bonds: 6 |
| Polar Surface Area: 166.14 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.83 | CX Basic pKa: | CX LogP: 0.42 | CX LogD: 0.28 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.35 | Np Likeness Score: 1.61 |
References
| 1. Tripathi AC, Upadhyay S, Paliwal S, Saraf SK.. (2018) Privileged scaffolds as MAO inhibitors: Retrospect and prospects., 145 [PMID:29335210] [10.1016/j.ejmech.2018.01.003] |
Source
Source(1):