| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4876205
Max Phase: Preclinical
Molecular Formula: C14H10BrN3O
Molecular Weight: 316.16
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc2c(c1)cc(Br)c1ccnc(N)c12
Standard InChI: InChI=1S/C14H10BrN3O/c15-11-6-8-5-7(14(17)19)1-2-9(8)12-10(11)3-4-18-13(12)16/h1-6H,(H2,16,18)(H2,17,19)
Standard InChI Key: OHHWUWXPWKJQHC-UHFFFAOYSA-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: 316.16 | Molecular Weight (Monoisotopic): 315.0007 | AlogP: 2.83 | #Rotatable Bonds: 1 |
| Polar Surface Area: 82.00 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.26 | CX LogP: 2.12 | CX LogD: 2.12 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.68 | Np Likeness Score: -0.33 |
References
| 1. (2020) Anti-cancer/anti-fibrosis compounds, |
Source
Source(1):