| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4445639
Max Phase: Preclinical
Molecular Formula: C11H13F2NO
Molecular Weight: 213.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)/[N+]([O-])=C/c1cc(F)cc(F)c1
Standard InChI: InChI=1S/C11H13F2NO/c1-11(2,3)14(15)7-8-4-9(12)6-10(13)5-8/h4-7H,1-3H3/b14-7-
Standard InChI Key: BMHFJLBOSWJAMW-AUWJEWJLSA-N
Associated Targets(non-human)
Retinoid isomerohydrolase 75 Activities
Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 213.23 | Molecular Weight (Monoisotopic): 213.0965 | AlogP: 2.69 | #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: 0.18 | CX Basic pKa: | CX LogP: -0.16 | CX LogD: 1.87 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.30 | Np Likeness Score: -0.76 |
References
| 1. (2013) Compositions and methods of inhibiting retinal degeneration, |
Source
Source(1):