| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3214427
Max Phase: Preclinical
Molecular Formula: C15H12N4O
Molecular Weight: 264.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1
Standard InChI: InChI=1S/C15H12N4O/c1-2-6-14(7-3-1)20-15-8-4-5-13(9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10+
Standard InChI Key: UEOWDJAYKPCTHR-VCHYOVAHSA-N
Associated Targets(Human)
TAR DNA-binding protein 43 40113 Activities
Associated Targets(non-human)
Nonstructural protein 1 33327 Activities
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Ferritin light chain 43324 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 264.29 | Molecular Weight (Monoisotopic): 264.1011 | AlogP: 2.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.30 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.74 | CX LogP: 1.86 | CX LogD: 1.86 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.68 | Np Likeness Score: -1.33 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):