| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4469945
Max Phase: Preclinical
Molecular Formula: C17H27NO
Molecular Weight: 261.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=C(/C=C/C(C)=C/C=C/CN)C(C)(C)CCC1O
Standard InChI: InChI=1S/C17H27NO/c1-13(7-5-6-12-18)8-9-15-14(2)16(19)10-11-17(15,3)4/h5-9,16,19H,10-12,18H2,1-4H3/b6-5+,9-8+,13-7+
Standard InChI Key: CGUYJKHDUXIZTD-AGOCETDLSA-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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 261.41 | Molecular Weight (Monoisotopic): 261.2093 | AlogP: 3.50 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.25 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.64 | CX LogP: 2.59 | CX LogD: 0.40 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.76 | Np Likeness Score: 2.63 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):