| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA223800
Max Phase: Preclinical
Molecular Formula: C17H11F3N2O2
Molecular Weight: 332.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)C(F)(F)F
Standard InChI: InChI=1S/C17H11F3N2O2/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1-10H,(H,22,23)
Standard InChI Key: QRQPYHYCXCZYQX-UHFFFAOYSA-N
Associated Targets(Human)
Prion protein 409 Activities
Associated Targets(non-human)
Prion protein 315 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: 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: 332.28 | Molecular Weight (Monoisotopic): 332.0773 | AlogP: 4.51 | #Rotatable Bonds: 3 |
| Polar Surface Area: 55.13 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.82 | CX Basic pKa: | CX LogP: 4.43 | CX LogD: 3.83 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.77 | Np Likeness Score: -1.07 |
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):