| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4446619
Max Phase: Preclinical
Molecular Formula: C17H14O4
Molecular Weight: 282.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1-c1oc2ccc(C)cc2c(=O)c1O
Standard InChI: InChI=1S/C17H14O4/c1-10-7-8-14-12(9-10)15(18)16(19)17(21-14)11-5-3-4-6-13(11)20-2/h3-9,19H,1-2H3
Standard InChI Key: JOJVTBICFLXJOA-UHFFFAOYSA-N
Associated Targets(Human)
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta 32 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 282.30 | Molecular Weight (Monoisotopic): 282.0892 | AlogP: 3.48 | #Rotatable Bonds: 2 |
| Polar Surface Area: 59.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.06 | CX Basic pKa: | CX LogP: 3.08 | CX LogD: 3.07 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.78 | Np Likeness Score: 0.42 |
References
| 1. Solomon VR, Tallapragada VJ, Chebib M, Johnston GAR, Hanrahan JR.. (2019) GABA allosteric modulators: An overview of recent developments in non-benzodiazepine modulators., 171 [PMID:30928713] [10.1016/j.ejmech.2019.03.043] |
Source
Source(1):