| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4592337
Max Phase: Preclinical
Molecular Formula: C24H32N4OS2
Molecular Weight: 456.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCN(C)CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2
Standard InChI: InChI=1S/C24H32N4OS2/c1-5-12-27(4)13-11-21(29)26-24-22(23-25-18-8-6-7-9-19(18)30-23)17-10-14-28(16(2)3)15-20(17)31-24/h6-9,16H,5,10-15H2,1-4H3,(H,26,29)
Standard InChI Key: SZEMBAXHEQUCOC-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 |
|---|
Properties
| Molecular Weight: 456.68 | Molecular Weight (Monoisotopic): 456.2018 | AlogP: 5.46 | #Rotatable Bonds: 8 |
| Polar Surface Area: 48.47 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.56 | CX Basic pKa: 9.61 | CX LogP: 4.92 | CX LogD: 2.59 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -2.22 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):