| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1627198
Max Phase: Preclinical
Molecular Formula: C14H31NOS
Molecular Weight: 261.47
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 1-(S-Methylsulfonimidoyl)Tridecane
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCCCCCCCCCCC[S+](C)(=N)[O-]
Standard InChI: InChI=1S/C14H31NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2,15)16/h3-14H2,1-2H3,(H-,15,16)
Standard InChI Key: BEZMFQOZYYVNNZ-UHFFFAOYSA-N
Associated Targets(non-human)
Moloney murine leukemia virus 54 Activities
Mus musculus 284745 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: 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: 261.47 | Molecular Weight (Monoisotopic): 261.2126 | AlogP: 4.97 | #Rotatable Bonds: 12 |
| Polar Surface Area: 46.91 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.11 | CX LogP: 4.19 | CX LogD: 4.19 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.39 | Np Likeness Score: 0.13 |
References
| 1. McDonald IA, Nyce PL, Ku GS, Bowlin TL. (1993) Synthesis and biological activity of sulfoximine-modified myristic acid analogues, 3 (8): [10.1016/S0960-894X(00)80049-9] |
Source
Source(1):