| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4569846
Max Phase: Preclinical
Molecular Formula: C14H22O
Molecular Weight: 206.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC(=O)C=CC1C(C)=CCCC1(C)C
Standard InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3
Standard InChI Key: VPKMGDRERYMTJX-UHFFFAOYSA-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 |
|---|
Molecule Features
| Natural Product: Yes | 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: 206.33 | Molecular Weight (Monoisotopic): 206.1671 | AlogP: 3.90 | #Rotatable Bonds: 3 |
| 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: 4.02 | CX LogD: 4.02 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.51 | Np Likeness Score: 2.20 |
References
| 1. (2013) Method for treating skin with retinoids and retinoid boosters, |
Source
Source(1):