| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1627196
Max Phase: Preclinical
Molecular Formula: C17H35NO3S
Molecular Weight: 333.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCC[S+](=N)([O-])CC(=O)OCC
Standard InChI: InChI=1S/C17H35NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-22(18,20)16-17(19)21-4-2/h3-16H2,1-2H3,(H-,18,20)
Standard InChI Key: GQWCMJAWNSHFDI-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 |
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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 |
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Properties
| Molecular Weight: 333.54 | Molecular Weight (Monoisotopic): 333.2338 | AlogP: 4.91 | #Rotatable Bonds: 15 |
| Polar Surface Area: 73.21 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.06 | CX Basic pKa: 3.75 | CX LogP: 4.63 | CX LogD: 4.63 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.26 | Np Likeness Score: 0.01 |
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):