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ID: ALA1732621
Max Phase: Preclinical
Molecular Formula: C11H10ClN3O2S
Molecular Weight: 283.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1
Standard InChI: InChI=1S/C11H10ClN3O2S/c1-7-14-6-10(11(13)15-7)18(16,17)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)
Standard InChI Key: HIUYEVDUASCTAB-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin-conjugating enzyme E2 N 1570 Activities
Vitamin D receptor 26531 Activities
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Werner syndrome ATP-dependent helicase 8824 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: 283.74 | Molecular Weight (Monoisotopic): 283.0182 | AlogP: 1.85 | #Rotatable Bonds: 2 |
| Polar Surface Area: 85.94 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.41 | CX LogP: 1.81 | CX LogD: 1.81 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.91 | Np Likeness Score: -1.73 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):