| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4591475
Max Phase: Preclinical
Molecular Formula: C16H14F2N4OS2
Molecular Weight: 380.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3c(C(F)F)nccc3s1)CCNC2
Standard InChI: InChI=1S/C16H14F2N4OS2/c1-7(23)21-15-11(8-2-4-19-6-10(8)25-15)16-22-12-9(24-16)3-5-20-13(12)14(17)18/h3,5,14,19H,2,4,6H2,1H3,(H,21,23)
Standard InChI Key: OQHKQCNQTKEABY-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 |
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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 |
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Properties
| Molecular Weight: 380.44 | Molecular Weight (Monoisotopic): 380.0577 | AlogP: 3.96 | #Rotatable Bonds: 3 |
| Polar Surface Area: 66.91 | Molecular Species: NEUTRAL | 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: 8.43 | CX LogP: 2.38 | CX LogD: 1.31 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.72 | Np Likeness Score: -1.61 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):