Compound Detail
CHEMBL3086883
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Basic Information
| ChEMBL ID | CHEMBL3086883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZTGIRNXWSZBIM-QURGRASLSA-N |
9
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
3.89
ALogP
7
HBA
3
HBD
130.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 7.07
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 7.07 | 6.67 | 85.1 | 3 |
| Bromodomain-containing protein 3 CHEMBL1795186 | Ki | 7.0 | 6.925 | 100.0 | 4 |
| CREB-binding protein CHEMBL5747 | Ki | 5.66 | 5.66 | 2180.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Ki | 5.57 | 5.57 | 2720.0 | 1 |
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | Ki | 5.48 | 5.48 | 3290.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL3085619 | IC50 | 5.42 | 5.365 | 3800.0 | 2 |
| Histone acetyltransferase KAT2B CHEMBL5500 | Ki | 5.26 | 5.26 | 5520.0 | 1 |
| Nucleosome-remodeling factor subunit BPTF CHEMBL3085621 | Ki | 5.22 | 5.22 | 6060.0 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Ki | 5.1 | 5.1 | 7970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24144283 | 10.1021/jm401334s | Bromodomain-containing protein 4 | 8 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| 24144283 | 10.1021/jm401334s | Bromodomain-containing protein 3 | 2 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Bromodomain-containing protein 3 | 2 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Bromodomain-containing protein 4 | 2 |
| 24144283 | 10.1021/jm401334s | Nucleosome-remodeling factor subunit BPTF | 1 |
| 24144283 | 10.1021/jm401334s | Bromodomain-containing protein 7 | 1 |
| 24144283 | 10.1021/jm401334s | Histone acetyltransferase KAT2B | 1 |
| 24144283 | 10.1021/jm401334s | CREB-binding protein | 1 |
| 24144283 | 10.1021/jm401334s | Bromodomain adjacent to zinc finger domain protein 2B | 1 |
| 24144283 | 10.1021/jm401334s | Transcription activator BRG1 | 1 |
| 24144283 | 10.1021/jm401334s | RAW264.7 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
Data from ChEMBL 36 via Core Engine