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ID: ALA3213906
Max Phase: Preclinical
Molecular Formula: C11H12N2O3S2
Molecular Weight: 284.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccccc1
Standard InChI: InChI=1S/C11H12N2O3S2/c1-2-13-10(14)8-17-11(13)12-18(15,16)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/b12-11-
Standard InChI Key: PULDEHLJSHENHN-QXMHVHEDSA-N
Associated Targets(non-human)
Nonstructural protein 1 33327 Activities
Plasmodium falciparum 966862 Activities
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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 |
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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: 284.36 | Molecular Weight (Monoisotopic): 284.0289 | AlogP: 1.33 | #Rotatable Bonds: 3 |
| Polar Surface Area: 66.81 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.46 | CX LogD: 1.46 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.84 | Np Likeness Score: -1.82 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):