Compound Detail
CHEMBL4570969
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 | CHEMBL4570969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSFPLTWUFWOKBX-IFXJQAMLSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
3.69
ALogP
6
HBA
1
HBD
58.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.44
Kd 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 7.44 | 6.98 | 36.0 | 3 |
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 6.9 | 6.9 | 126.0 | 1 |
| Histone acetyltransferase KAT2A CHEMBL5501 | IC50 | 6.66 | 6.66 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 36.0 | nM | 7.44 | Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain ... | 30998845 |
| Histone acetyltransferase KAT2B | IC50 | = | 48.0 | nM | 7.32 | Affinity Biochemical interaction (BROMOscan assay (DiscoverX)) EUB0000218c KAT2B | - |
| Histone acetyltransferase KAT2B | Kd | = | 126.0 | nM | 6.9 | Binding affinity to human PCAF bromodomain by isothermal titration calorimetry | 30998845 |
| Histone acetyltransferase KAT2A | IC50 | = | 220.0 | nM | 6.66 | Affinity On-target Cellular interaction (Competing pull-down assay (full-length ... | - |
| Histone acetyltransferase KAT2A | IC50 | = | 220.0 | nM | 6.66 | Affinity Biochemical interaction (BROMOscan assay (DiscoverX)) EUB0000218c KAT2A | - |
| Histone acetyltransferase KAT2B | IC50 | = | 660.0 | nM | 6.18 | Affinity On-target Cellular interaction (Competing pull-down assay (full-length ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 10 |
| 27966810 | 10.1002/anie.201610816 | Protein polybromo-1 | 6 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 27966810 | 10.1002/anie.201610816 | Bromodomain-containing protein 4 | 2 |
| 27966810 | 10.1002/anie.201610816 | Transcription initiation factor TFIID subunit 1 | 2 |
| 27966810 | 10.1002/anie.201610816 | Transcription initiation factor TFIID subunit 1-like | 2 |
| 27966810 | 10.1002/anie.201610816 | Peregrin | 2 |
| 27966810 | 10.1002/anie.201610816 | Bromodomain testis-specific protein | 2 |
| 30998845 | 10.1021/acs.jmedchem.9b00096 | Histone acetyltransferase KAT2B | 2 |
| 27966810 | 10.1002/anie.201610816 | Bromodomain-containing protein 3 | 2 |
| 27966810 | 10.1002/anie.201610816 | Bromodomain-containing protein 2 | 2 |
| 27966810 | 10.1002/anie.201610816 | Transcription intermediary factor 1-alpha | 2 |
| - | 10.6019/CHEMBL5724564 | Hepatocyte spheroids | 1 |
| 27966810 | 10.1002/anie.201610816 | Bromodomain adjacent to zinc finger domain protein 2A | 1 |
| 27966810 | 10.1002/anie.201610816 | Tyrosine-protein kinase BAZ1B | 1 |
Data from ChEMBL 36 via Core Engine