| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270720
Max Phase: Preclinical
Molecular Formula: C18H16O
Molecular Weight: 248.32
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C)c2c1C/C(=C\c1ccccc1)C2=O
Standard InChI: InChI=1S/C18H16O/c1-12-8-9-13(2)17-16(12)11-15(18(17)19)10-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3/b15-10+
Standard InChI Key: RUTSTIXDRLTLKM-XNTDXEJSSA-N
Associated Targets(Human)
Serine/threonine-protein kinase AKT 245 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: 248.32 | Molecular Weight (Monoisotopic): 248.1201 | AlogP: 4.13 | #Rotatable Bonds: 1 |
| Polar Surface Area: 17.07 | Molecular Species: | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.92 | CX LogD: 4.92 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.69 | Np Likeness Score: 0.04 |
References
| 1. Lazinski LM, Royal G, Robin M, Maresca M, Haudecoeur R.. (2022) Bioactive Aurones, Indanones, and Other Hemiindigoid Scaffolds: Medicinal Chemistry and Photopharmacology Perspectives., 65 (19.0): [PMID:36126323] [10.1021/acs.jmedchem.2c01150] |
Source
Source(1):