| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4862671
Max Phase: Preclinical
Molecular Formula: C19H17N2NaO2
Molecular Weight: 306.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C([O-])c1ccc2c(c1)cc(N1CCCCC1)c1ccncc12.[Na+]
Standard InChI: InChI=1S/C19H18N2O2.Na/c22-19(23)13-4-5-15-14(10-13)11-18(21-8-2-1-3-9-21)16-6-7-20-12-17(15)16;/h4-7,10-12H,1-3,8-9H2,(H,22,23);/q;+1/p-1
Standard InChI Key: KCYZNGMKACSMTR-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 306.37 | Molecular Weight (Monoisotopic): 306.1368 | AlogP: 4.08 | #Rotatable Bonds: 2 |
| Polar Surface Area: 53.43 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.57 | CX Basic pKa: 5.40 | CX LogP: 1.87 | CX LogD: 0.23 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.72 | Np Likeness Score: -0.46 |
References
| 1. (2020) Anti-cancer/anti-fibrosis compounds, |
Source
Source(1):