Compound Detail
CHEMBL4644517
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Basic Information
| ChEMBL ID | CHEMBL4644517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXTYYTPPRXLSCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
2.10
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Ki | = | 125.89 | nM | 6.9 | Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed ... | 32410449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Unchecked | 2 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | No relevant target | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 9 | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Peregrin | 1 |
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine