| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4557239
Max Phase: Preclinical
Molecular Formula: C17H25N
Molecular Weight: 243.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=C(/C=C/C(C)=C/C=C/CN)C(C)(C)CC=C1
Standard InChI: InChI=1S/C17H25N/c1-14(8-5-6-13-18)10-11-16-15(2)9-7-12-17(16,3)4/h5-11H,12-13,18H2,1-4H3/b6-5+,11-10+,14-8+
Standard InChI Key: OALKRYGBFWCZIM-SCVSUVHVSA-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: 243.39 | Molecular Weight (Monoisotopic): 243.1987 | AlogP: 4.31 | #Rotatable Bonds: 4 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.64 | CX LogP: 3.45 | CX LogD: 1.27 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.73 | Np Likeness Score: 2.69 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):