Compound Detail
CHEMBL4639574
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Basic Information
| ChEMBL ID | CHEMBL4639574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXFKGTAATGRBOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.49
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Ki | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Ki | = | 63.1 | nM | 7.2 | Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed ... | 32410449 |
| Bromodomain-containing protein 7 | Ki | = | 501.19 | nM | 6.3 | Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed ... | 32410449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32410449 | 10.1021/acs.jmedchem.0c00075 | No relevant target | 3 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Unchecked | 2 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 9 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 7 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Peregrin | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 4 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Transcription initiation factor TFIID subunit 1 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine