Compound Detail
CHEMBL1627240
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C=[S+]([O-])(N[C@@H](CNC(=O)c1cc2c(cc1C(=O)NC)CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2)C(=O)OC(C)(C)C)c1c(Cl)sc(Cl)c1Br
Basic Information
| ChEMBL ID | CHEMBL1627240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQMDCZCQUJAPEV-GWKYLOPHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
893.8
MW (Da)
6.17
ALogP
10
HBA
3
HBD
169.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein/Transcription factor AP-1 CHEMBL3885607 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| c-Myc/Max CHEMBL3301395 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein/Transcription factor AP-1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Myc-Jun protein - protein interaction in chicken embryo fibroblast... | 16408003 |
| c-Myc/Max | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Myc-Max protein-protein interaction by EMSA | 16408003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16408003 | 10.1038/nchembio0705-74 | c-Myc/Max | 2 |
| 16408003 | 10.1038/nchembio0705-74 | Myc proto-oncogene protein/Transcription factor AP-1 | 1 |
Data from ChEMBL 36 via Core Engine