| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4541892
Max Phase: Preclinical
Molecular Formula: C16H16N4OS2
Molecular Weight: 344.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCC(N)C2
Standard InChI: InChI=1S/C16H16N4OS2/c1-8(21)19-15-14(10-3-2-9(17)6-13(10)23-15)16-20-11-7-18-5-4-12(11)22-16/h4-5,7,9H,2-3,6,17H2,1H3,(H,19,21)
Standard InChI Key: DURJOSHBLYXEEO-UHFFFAOYSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
NCI-H2171 837 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 3.19 | #Rotatable Bonds: 2 |
| Polar Surface Area: 80.90 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.76 | CX Basic pKa: 9.78 | CX LogP: 1.89 | CX LogD: -0.15 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.75 | Np Likeness Score: -1.63 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):