| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4877279
Max Phase: Preclinical
Molecular Formula: C19H19N3O2
Molecular Weight: 321.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N[C@@H]1CCCN(c2cc3cc(C(=O)O)ccc3c3cnccc23)C1
Standard InChI: InChI=1S/C19H19N3O2/c20-14-2-1-7-22(11-14)18-9-13-8-12(19(23)24)3-4-15(13)17-10-21-6-5-16(17)18/h3-6,8-10,14H,1-2,7,11,20H2,(H,23,24)/t14-/m1/s1
Standard InChI Key: NCJUHYPZQYFZCM-CQSZACIVSA-N
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: 321.38 | Molecular Weight (Monoisotopic): 321.1477 | AlogP: 3.01 | #Rotatable Bonds: 2 |
| Polar Surface Area: 79.45 | Molecular Species: ZWITTERION | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.15 | CX Basic pKa: 9.87 | CX LogP: -0.10 | CX LogD: -0.10 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.71 | Np Likeness Score: -0.36 |
References
| 1. (2020) Anti-cancer/anti-fibrosis compounds, |
Source
Source(1):