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N-methyl-2-phenyl-2-phenylsulfanylacetamide
ID: ALA1430492
Max Phase: Preclinical
Molecular Formula: C15H15NOS
Molecular Weight: 257.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(Sc1ccccc1)c1ccccc1
Standard InChI: InChI=1S/C15H15NOS/c1-16-15(17)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2-11,14H,1H3,(H,16,17)
Standard InChI Key: IZPRKJSUKRJRKJ-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 257.36 | Molecular Weight (Monoisotopic): 257.0874 | AlogP: 3.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 29.10 | 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: | CX LogP: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.85 | Np Likeness Score: -1.12 |
References
| 1. PubChem BioAssay data set, |
