Compound Detail
CHEMBL4092565
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
COc1cccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(Cl)c3n2)N4)c1
Basic Information
| ChEMBL ID | CHEMBL4092565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUTCDOJKEIYLAL-ZPRFHTKYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
617.1
MW (Da)
4.52
ALogP
10
HBA
2
HBD
113.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 7.92 | 7.368 | 12.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 12.0 | nM | 7.92 | Inhibition of SMRT2 H1426W mutant peptide binding to N-terminal His6-tagged huma... | 28485934 |
| B-cell lymphoma 6 protein | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human BCL6 BTP domain measured by TR-FRET assay | 33844535 |
| B-cell lymphoma 6 protein | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) exp... | 28485934 |
| B-cell lymphoma 6 protein | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) exp... | 28485934 |
| B-cell lymphoma 6 protein | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human BCL6 BTP domain measured by cell reporter assay | 33844535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28485934 | 10.1021/acs.jmedchem.7b00359 | B-cell lymphoma 6 protein | 3 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | B-cell lymphoma 6 protein | 2 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | Unchecked | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | Zinc finger and BTB domain-containing protein 16 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | OCI-Ly1 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | TMD8 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | OCI-Ly3 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | OCI-Ly10 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | SU-DHL-2 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | SUD4 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | U2932 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | KARPAS-422 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | OCI-LY19 | 1 |
| 28485934 | 10.1021/acs.jmedchem.7b00359 | AMO1 | 1 |
| 33844535 | 10.1021/acs.jmedchem.0c01686 | Casein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine