| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4469235
Max Phase: Preclinical
Molecular Formula: C13H24O
Molecular Weight: 196.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=CC[C@H](CC[C@H](C)CO)C1(C)C
Standard InChI: InChI=1S/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h6,10,12,14H,5,7-9H2,1-4H3/t10-,12-/m0/s1
Standard InChI Key: CYVGAJHMMVDTDZ-JQWIXIFHSA-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: 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: 196.33 | Molecular Weight (Monoisotopic): 196.1827 | AlogP: 3.39 | #Rotatable Bonds: 4 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.24 | CX LogD: 3.24 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.68 | Np Likeness Score: 2.41 |
References
| 1. (2013) Method for treating skin with retinoids and retinoid boosters, |
Source
Source(1):