| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA503857
Max Phase: Preclinical
Molecular Formula: C13H26O3S2
Molecular Weight: 294.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCOC(=O)SSCCO
Standard InChI: InChI=1S/C13H26O3S2/c1-2-3-4-5-6-7-8-9-11-16-13(15)18-17-12-10-14/h14H,2-12H2,1H3
Standard InChI Key: GGMOFBADIAGFIF-UHFFFAOYSA-N
Associated Targets(non-human)
3-oxoacyl-[acyl-carrier-protein] synthase III 179 Activities
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: 294.48 | Molecular Weight (Monoisotopic): 294.1323 | AlogP: 4.64 | #Rotatable Bonds: 12 |
| Polar Surface Area: 46.53 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.70 | CX LogD: 4.70 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.32 | Np Likeness Score: 0.34 |
References
| 1. Turos E, Revell KD, Ramaraju P, Gergeres DA, Greenhalgh K, Young A, Sathyanarayan N, Dickey S, Lim D, Alhamadsheh MM, Reynolds K.. (2008) Unsymmetric aryl-alkyl disulfide growth inhibitors of methicillin-resistant Staphylococcus aureus and Bacillus anthracis., 16 (13): [PMID:18524602] [10.1016/j.bmc.2008.05.032] |
Source
Source(1):