| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593183
Max Phase: Preclinical
Molecular Formula: C22H26N4O3S2
Molecular Weight: 458.61
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC(C)NCCC(=O)Nc1sc2c(c1-c1nc3cc4c(cc3s1)OCO4)CCNC2
Standard InChI: InChI=1S/C22H26N4O3S2/c1-3-12(2)24-7-5-19(27)26-22-20(13-4-6-23-10-18(13)31-22)21-25-14-8-15-16(29-11-28-15)9-17(14)30-21/h8-9,12,23-24H,3-7,10-11H2,1-2H3,(H,26,27)
Standard InChI Key: WUVNMFAMTSLGCN-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: 458.61 | Molecular Weight (Monoisotopic): 458.1446 | AlogP: 4.12 | #Rotatable Bonds: 7 |
| Polar Surface Area: 84.51 | Molecular Species: BASE | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.62 | CX Basic pKa: 9.83 | CX LogP: 3.31 | CX LogD: 0.19 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -1.70 |
References
| 1. (2018) Compounds for the modulation of myc activity, |
Source
Source(1):