| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA46569
Max Phase: Preclinical
Molecular Formula: C17H34O2S
Molecular Weight: 302.52
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 10-Heptylsulfanyl-Decanoic Acid
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCCCCCSCCCCCCCCCC(=O)O
Standard InChI: InChI=1S/C17H34O2S/c1-2-3-4-9-12-15-20-16-13-10-7-5-6-8-11-14-17(18)19/h2-16H2,1H3,(H,18,19)
Standard InChI Key: TUFQWJKPRHKEDC-UHFFFAOYSA-N
Associated Targets(non-human)
Crithidia fasciculata 29 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: 302.52 | Molecular Weight (Monoisotopic): 302.2280 | AlogP: 5.90 | #Rotatable Bonds: 16 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.95 | CX Basic pKa: | CX LogP: 6.34 | CX LogD: 3.93 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.36 | Np Likeness Score: 0.06 |
References
| 1. Rahman MD, Ziering DL, Mannarelli SJ, Swartz KL, Huang DS, Pascal RA.. (1988) Effects of sulfur-containing analogues of stearic acid on growth and fatty acid biosynthesis in the protozoan Crithidia fasciculata., 31 (8): [PMID:3398003] [10.1021/jm00403a029] |
Source
Source(1):