| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4566718
Max Phase: Preclinical
Molecular Formula: C20H31N
Molecular Weight: 285.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CN)C(C)(C)CCC1
Standard InChI: InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Standard InChI Key: ILYSIVSSNXQZQG-OVSJKPMPSA-N
Associated Targets(non-human)
Mus musculus 284745 Activities
Retinoid isomerohydrolase 75 Activities
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Lecithin retinol acyltransferase 88 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: 285.48 | Molecular Weight (Monoisotopic): 285.2456 | AlogP: 5.48 | #Rotatable Bonds: 5 |
| 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: 4.59 | CX LogD: 2.41 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.67 | Np Likeness Score: 2.23 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):