| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4561265
Max Phase: Preclinical
Molecular Formula: C13H19NO2
Molecular Weight: 221.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1
Standard InChI: InChI=1S/C13H19NO2/c1-5-16-12-8-6-11(7-9-12)10-14(15)13(2,3)4/h6-10H,5H2,1-4H3/b14-10-
Standard InChI Key: ALRQTNVDCIVTDU-UVTDQMKNSA-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: 221.30 | Molecular Weight (Monoisotopic): 221.1416 | AlogP: 2.81 | #Rotatable Bonds: 3 |
| Polar Surface Area: 35.30 | Molecular Species: ACID | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.34 | CX Basic pKa: | CX LogP: -0.24 | CX LogD: 1.78 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.34 | Np Likeness Score: -0.58 |
References
| 1. (2013) Compositions and methods of inhibiting retinal degeneration, |
Source
Source(1):