Compound Detail
CHEMBL5184651
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CN1CCN2c3nc(F)c(Cl)c(n3)Nc3cc4c(c(c3)OCCOC[C@H]2C1)N(C)C(=O)CC4
Basic Information
| ChEMBL ID | CHEMBL5184651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGWVUCHNOJRMHP-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.9
MW (Da)
2.45
ALogP
8
HBA
1
HBD
83.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 8.05 | 8.05 | 8.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 8.9 | nM | 8.05 | Binding affinity to BCL6 (unknown origin) by TR-FRET assay | 36441945 |
| B-cell lymphoma 6 protein | IC50 | = | 8.9 | nM | 8.05 | Inhibition of human BCL6 BTP domain measured by TR-FRET assay | 33844535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36441945 | 10.1021/acs.jmedchem.2c01433 | B-cell lymphoma 6 protein | 1 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | B-cell lymphoma 6 protein | 1 |
Data from ChEMBL 36 via Core Engine