| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4543899
Max Phase: Preclinical
Molecular Formula: C19H22N4OS2
Molecular Weight: 386.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)C(C)CN(C(C)C)C2
Standard InChI: InChI=1S/C19H22N4OS2/c1-10(2)23-8-11(3)16-15(9-23)26-18(21-12(4)24)17(16)19-22-13-7-20-6-5-14(13)25-19/h5-7,10-11H,8-9H2,1-4H3,(H,21,24)
Standard InChI Key: NELDMGQUSGZZIN-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: 386.55 | Molecular Weight (Monoisotopic): 386.1235 | AlogP: 4.71 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.12 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.57 | CX Basic pKa: 7.86 | CX LogP: 3.36 | CX LogD: 2.76 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -1.54 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):