Compound Detail
CHEMBL5205838
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C[C@@H]1C[C@H](N(C)C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@H](C4CC4)N3)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5205838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPQGUGFUKNXBFU-SKDDIYDISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
574.1
MW (Da)
4.72
ALogP
9
HBA
2
HBD
87.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 3.6 | nM | 8.44 | Inhibition of N-terminal thioredoxin-His6 tagged human BCL6 BTB domain (5 to 129... | 35653645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35653645 | 10.1021/acs.jmedchem.1c02175 | B-cell lymphoma 6 protein | 3 |
| 35653645 | 10.1021/acs.jmedchem.1c02175 | No relevant target | 2 |
| 35653645 | 10.1021/acs.jmedchem.1c02175 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine