| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4066335
Max Phase: Preclinical
Molecular Formula: C13H13NOS2
Molecular Weight: 263.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1ccc(/C=C2\SC(SC)=NC2=O)cc1
Standard InChI: InChI=1S/C13H13NOS2/c1-3-9-4-6-10(7-5-9)8-11-12(15)14-13(16-2)17-11/h4-8H,3H2,1-2H3/b11-8-
Standard InChI Key: TYFYVMRDKKQYEW-FLIBITNWSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
c-Myc/c-Max 51 Activities
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HL-60 67320 Activities
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Protein max 98 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: 263.39 | Molecular Weight (Monoisotopic): 263.0439 | AlogP: 3.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.08 | CX LogD: 4.08 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.76 | Np Likeness Score: -1.27 |
References
| 1. (2011) Low molecular weight MYC-MAX inhibitors, |
Source
Source(1):