ID: ALA380952
Chembl Id: CHEMBL380952
PubChem CID: 11992677
Max Phase: Preclinical
Molecular Formula: C7H13NO2S
Molecular Weight: 175.25
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CSN1C(=O)OC[C@@H]1C(C)C
Standard InChI: InChI=1S/C7H13NO2S/c1-5(2)6-4-10-7(9)8(6)11-3/h5-6H,4H2,1-3H3/t6-/m1/s1
Standard InChI Key: RUNALCGPGXKPNG-ZCFIWIBFSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 175.25 | Molecular Weight (Monoisotopic): 175.0667 | AlogP: 1.74 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.54 | Molecular Species: ┄ | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 1.84 | CX LogD: 1.84 |
| Aromatic Rings: ┄ | Heavy Atoms: 11 | QED Weighted: 0.60 | Np Likeness Score: 0.12 |
| 1. Mishra RK, Revell KD, Coates CM, Turos E, Dickey S, Lim DV.. (2006) N-thiolated 2-oxazolidinones: a new family of antibacterial agents for methicillin-resistant Staphylococcus aureus and Bacillus anthracis., 16 (8): [PMID:16464583] [10.1016/j.bmcl.2006.01.058] |
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