| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3184724
Max Phase: Preclinical
Molecular Formula: C16H24O
Molecular Weight: 232.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCCC(=O)/C=C/C1C(C)=CCCC1(C)C
Standard InChI: InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+
Standard InChI Key: FXCYGAGBPZQRJE-ZHACJKMWSA-N
Associated Targets(non-human)
Diacylglycerol O-acyltransferase 1 61 Activities
Lecithin retinol acyltransferase 88 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: Small molecule | 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: 232.37 | Molecular Weight (Monoisotopic): 232.1827 | AlogP: 4.46 | #Rotatable Bonds: 5 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.60 | CX LogD: 4.60 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.50 | Np Likeness Score: 2.33 |
References
| 1. PubChem BioAssay data set, |
| 2. (2013) Method for treating skin with retinoids and retinoid boosters, |
Source
Source(2):