| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4862119
Max Phase: Preclinical
Molecular Formula: C17H12NNaO2
Molecular Weight: 263.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C([O-])c1ccc2c(c1)cc(C1CC1)c1ccncc12.[Na+]
Standard InChI: InChI=1S/C17H13NO2.Na/c19-17(20)11-3-4-13-12(7-11)8-15(10-1-2-10)14-5-6-18-9-16(13)14;/h3-10H,1-2H2,(H,19,20);/q;+1/p-1
Standard InChI Key: PSJTZNIWJPKGQS-UHFFFAOYSA-M
Associated Targets(Human)
Homeodomain-interacting protein kinase 2 1644 Activities
Casein kinase II alpha 3512 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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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: 263.30 | Molecular Weight (Monoisotopic): 263.0946 | AlogP: 3.96 | #Rotatable Bonds: 2 |
| Polar Surface Area: 50.19 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.17 | CX Basic pKa: 5.15 | CX LogP: 2.11 | CX LogD: 0.08 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.71 | Np Likeness Score: 0.07 |
References
| 1. (2020) Anti-cancer/anti-fibrosis compounds, |
Source
Source(1):