Compound Detail
CHEMBL4782464
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Basic Information
| ChEMBL ID | CHEMBL4782464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEKZPGPLMPQKGR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.27
ALogP
6
HBA
2
HBD
84.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.2767 | 20.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.9 | nM | 7.68 | Polybromodomain-1 BromoDomain-5 (PB1-BD5) SM TR-FRET Binding Assay: Histidine-Fl... | - |
| Unchecked | IC50 | = | 71.5 | nM | 7.15 | BRM SM TR-FRET Binding Assay: Histidine epitope tagged BRM (Isoform 2) Bromodoma... | - |
| Unchecked | IC50 | = | 101.0 | nM | 7.0 | BRG1 TR-FRET Binding Assay: His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgsl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Protein polybromo-1 | 6 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Transcription activator BRG1 | 1 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Probable global transcription activator SNF2L2 | 1 |
Data from ChEMBL 36 via Core Engine