Compound Detail
CHEMBL4077836
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4077836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMDAAEXPGFOHGX-INIZCTEOSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
2.19
ALogP
8
HBA
3
HBD
118.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
Kd 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 6.43 | 6.43 | 370.0 | 3 |
| B-cell lymphoma 6 protein CHEMBL4105786 | Kd | 6.3 | 6.3 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 370.0 | nM | 6.43 | Inhibition of SMRT2 H1426W mutant peptide binding to N-terminal His6-tagged huma... | 28485934 |
| B-cell lymphoma 6 protein | IC50 | = | 370.0 | nM | 6.43 | Inhibition of Bcl6 (unknown origin) by TR-FRET assay | 31361481 |
| B-cell lymphoma 6 protein | IC50 | = | 370.0 | nM | 6.43 | Inhibition of human BCL6 BTP domain measured by TR-FRET assay | 33844535 |
| B-cell lymphoma 6 protein | Kd | = | 500.0 | nM | 6.3 | Binding affinity to N-terminal His6-tagged human BCL6 BTB domain C8Q/C67R/C84N m... | 28485934 |
| B-cell lymphoma 6 protein | Kd | = | 500.0 | nM | 6.3 | Binding affinity to human BCL6 BTP domain assessed as dissociation constant by S... | 33844535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28485934 | 10.1021/acs.jmedchem.7b00359 | B-cell lymphoma 6 protein | 4 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | B-cell lymphoma 6 protein | 2 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | No relevant target | 1 |
| 31361481 | 10.1021/acs.jmedchem.9b00716 | No relevant target | 1 |
| 31361481 | 10.1021/acs.jmedchem.9b00716 | B-cell lymphoma 6 protein | 1 |
Data from ChEMBL 36 via Core Engine