Compound Detail
CHEMBL4069412
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Basic Information
| ChEMBL ID | CHEMBL4069412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZAFGXCWAWRULT-UONOGXRCSA-N |
9
Targets
22
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
2.44
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 14 meas. best 8.9
IC50 7 meas. best 7.4
Kd 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | Ki | 8.9 | 8.8667 | 1.3 | 3 |
| Histone acetyltransferase KAT2A CHEMBL5501 | Ki | 8.9 | 8.8667 | 1.3 | 3 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 7.4 | 6.688 | 39.8 | 5 |
| Bromodomain and PHD finger-containing protein 3 CHEMBL3108644 | Ki | 7.0 | 7.0 | 100.0 | 2 |
| Bromodomain-containing protein 1 CHEMBL2176774 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Peregrin CHEMBL3132741 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | Ki | 6.08 | 6.08 | 840.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | Fibroblast | 20 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 20 |
| - | 10.6019/CHEMBL4689842 | U2OS | 16 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2B | 5 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | No relevant target | 4 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Histone acetyltransferase KAT2A | 2 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain and PHD finger-containing protein 3 | 1 |
| 28002667 | 10.1021/acs.jmedchem.6b01566 | Bromodomain-containing protein 9 | 1 |
| 34375106 | 10.1021/acs.jmedchem.1c00721 | Nucleosome-remodeling factor subunit BPTF | 1 |
| - | 10.6019/CHEMBL5060014 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5060014 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5060014 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724564 | Hepatocyte spheroids | 1 |
| - | 10.6019/CHEMBL5060014 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5060014 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine