Compound Detail
CHEMBL5187061
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Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(O)C4)ncc3Cl)ccc21
Basic Information
| ChEMBL ID | CHEMBL5187061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUBBGJWQRZERCH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.9
MW (Da)
2.89
ALogP
9
HBA
3
HBD
108.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.56
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 6.62 | 6.62 | 238.0 | 1 |
| B-cell lymphoma 6 protein CHEMBL4105786 | EC50 | 6.56 | 6.56 | 276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 238.0 | nM | 6.62 | Inhibition of N-terminal thioredoxin-His6 tagged human BCL6 BTB domain (5 to 129... | 35653645 |
| B-cell lymphoma 6 protein | EC50 | = | 276.0 | nM | 6.56 | Degradation of BCL6 in human OCI-Ly1 cells incubated for 2 hrs by MSD assay | 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