Compound Detail
CHEMBL4587209
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Basic Information
| ChEMBL ID | CHEMBL4587209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBWCRVDICXCMSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
480.9
MW (Da)
3.92
ALogP
8
HBA
2
HBD
88.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 36.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 310.0 | nM | 6.51 | Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL... | 32275432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32275432 | 10.1021/acs.jmedchem.9b02076 | B-cell lymphoma 6 protein | 5 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | No relevant target | 2 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | ADMET | 1 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | SUD4 | 1 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | OCI-Ly1 | 1 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | OCI-Ly3 | 1 |
Data from ChEMBL 36 via Core Engine