| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4540079
Max Phase: Preclinical
Molecular Formula: C16H16N4OS2
Molecular Weight: 344.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C(C)CNC2
Standard InChI: InChI=1S/C16H16N4OS2/c1-8-5-18-7-12-13(8)14(15(23-12)19-9(2)21)16-20-10-6-17-4-3-11(10)22-16/h3-4,6,8,18H,5,7H2,1-2H3,(H,19,21)
Standard InChI Key: ORUNCHMXUITGIM-UHFFFAOYSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 344.47 | Molecular Weight (Monoisotopic): 344.0766 | AlogP: 3.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 66.91 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.57 | CX Basic pKa: 8.58 | CX LogP: 2.09 | CX LogD: 0.99 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.75 | Np Likeness Score: -1.37 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):