| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4563763
Max Phase: Preclinical
Molecular Formula: C12H14F3NO
Molecular Weight: 245.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1
Standard InChI: InChI=1S/C12H14F3NO/c1-11(2,3)16(17)8-9-4-6-10(7-5-9)12(13,14)15/h4-8H,1-3H3/b16-8-
Standard InChI Key: SNWHLSIUZACNST-PXNMLYILSA-N
Associated Targets(non-human)
Retinoid isomerohydrolase 75 Activities
Rattus norvegicus 775804 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus 284745 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 |
|---|
Properties
| Molecular Weight: 245.24 | Molecular Weight (Monoisotopic): 245.1027 | AlogP: 3.43 | #Rotatable Bonds: 1 |
| Polar Surface Area: 26.07 | Molecular Species: ACID | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.04 | CX Basic pKa: | CX LogP: 0.44 | CX LogD: 2.46 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.32 | Np Likeness Score: -0.72 |
References
| 1. (2013) Compositions and methods of inhibiting retinal degeneration, |
Source
Source(1):