| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4464953
Max Phase: Preclinical
Molecular Formula: C22H48ClNO3S
Molecular Weight: 406.70
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCCCOS(=O)(=O)CCC[N+](C)(C)C.[Cl-]
Standard InChI: InChI=1S/C22H48NO3S.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-27(24,25)22-19-20-23(2,3)4;/h5-22H2,1-4H3;1H/q+1;/p-1
Standard InChI Key: HIKICTBQZJZTDG-UHFFFAOYSA-M
Associated Targets(non-human)
Diacylglycerol O-acyltransferase 1 61 Activities
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: 406.70 | Molecular Weight (Monoisotopic): 406.3349 | AlogP: 5.91 | #Rotatable Bonds: 20 |
| Polar Surface Area: 43.37 | Molecular Species: | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.14 | CX LogD: 2.14 |
| Aromatic Rings: 0 | Heavy Atoms: 27 | QED Weighted: 0.14 | Np Likeness Score: 0.33 |
References
| 1. (2013) Method for treating skin with retinoids and retinoid boosters, |
Source
Source(1):