| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA220616
Max Phase: Preclinical
Molecular Formula: C19H13N3O3
Molecular Weight: 331.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccno1
Standard InChI: InChI=1S/C19H13N3O3/c23-17(15-11-12-20-25-15)22-19-16(13-7-3-1-4-8-13)21-18(24-19)14-9-5-2-6-10-14/h1-12H,(H,22,23)
Standard InChI Key: XNMCUNIKIHKLTG-UHFFFAOYSA-N
Associated Targets(Human)
Prion protein 409 Activities
Associated Targets(non-human)
Prion protein 315 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 |
|---|
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: 331.33 | Molecular Weight (Monoisotopic): 331.0957 | AlogP: 4.25 | #Rotatable Bonds: 4 |
| Polar Surface Area: 81.16 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.11 | CX Basic pKa: | CX LogP: 3.44 | CX LogD: 3.44 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.60 | Np Likeness Score: -1.51 |
References
| 1. Heal W, Thompson MJ, Mutter R, Cope H, Louth JC, Chen B.. (2007) Library synthesis and screening: 2,4-diphenylthiazoles and 2,4-diphenyloxazoles as potential novel prion disease therapeutics., 50 (6): [PMID:17305326] [10.1021/jm0612719] |
Source
Source(1):