| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4585371
Max Phase: Preclinical
Molecular Formula: C18H13NO4
Molecular Weight: 307.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CNc1ccc(/C=C2/C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
Standard InChI: InChI=1S/C18H13NO4/c1-19-12-5-2-10(3-6-12)8-15-16(20)13-7-4-11(18(22)23)9-14(13)17(15)21/h2-9,19H,1H3,(H,22,23)/b15-8-
Standard InChI Key: FUMWNMUADNCBLZ-NVNXTCNLSA-N
Associated Targets(Human)
Casein kinase 2 358 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: 307.31 | Molecular Weight (Monoisotopic): 307.0845 | AlogP: 2.89 | #Rotatable Bonds: 3 |
| Polar Surface Area: 83.47 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.53 | CX Basic pKa: 4.47 | CX LogP: 1.33 | CX LogD: -0.94 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.67 | Np Likeness Score: -0.16 |
References
| 1. (2016) 7 (7): [10.1039/C6MD00189K] |
Source
Source(1):