| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4544651
Max Phase: Preclinical
Molecular Formula: C19H27N
Molecular Weight: 269.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(/C=C/C=C1/C=C(C2=CCCCC2)CCC1)=C\CN
Standard InChI: InChI=1S/C19H27N/c1-16(13-14-20)7-5-8-17-9-6-12-19(15-17)18-10-3-2-4-11-18/h5,7-8,10,13,15H,2-4,6,9,11-12,14,20H2,1H3/b7-5+,16-13+,17-8+
Standard InChI Key: PLXPTUWLJNJXOJ-OTLMWCFISA-N
Associated Targets(non-human)
Lecithin retinol acyltransferase 88 Activities
Retinoid isomerohydrolase 75 Activities
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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: 269.43 | Molecular Weight (Monoisotopic): 269.2143 | AlogP: 4.98 | #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: 3.98 | CX LogD: 1.81 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.72 | Np Likeness Score: 1.01 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):