| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4562853
Max Phase: Preclinical
Molecular Formula: C20H33N
Molecular Weight: 287.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=C(/C=C/C(=C/C=C/CN)C(C)(C)C)C(C)(C)CCC1
Standard InChI: InChI=1S/C20H33N/c1-16-10-9-14-20(5,6)18(16)13-12-17(19(2,3)4)11-7-8-15-21/h7-8,11-13H,9-10,14-15,21H2,1-6H3/b8-7+,13-12+,17-11-
Standard InChI Key: CZBAJYZUMSJBDD-JLUVVWDZSA-N
Associated Targets(non-human)
Lecithin retinol acyltransferase 88 Activities
Retinoid isomerohydrolase 75 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 287.49 | Molecular Weight (Monoisotopic): 287.2613 | AlogP: 5.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.64 | CX LogP: 4.85 | CX LogD: 2.67 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.67 | Np Likeness Score: 1.46 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):