Compound Detail
CHEMBL3822498
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Basic Information
| ChEMBL ID | CHEMBL3822498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCFYRSDVZKRXGW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
1.46
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Kd 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.43 | 5.43 | 3681.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 5.04 | 5.04 | 9100.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 5.03 | 5.03 | 9338.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 3681.0 | nM | 5.43 | Inhibition of human N-terminal GST-tagged BRD4-BD1 expressed in Escherichia coli... | 26914985 |
| Bromodomain-containing protein 9 | Kd | = | 9100.0 | nM | 5.04 | Binding affinity to human N-terminal 6His-tagged BRD9 isoform 1 by SPR method | 26914985 |
| Bromodomain-containing protein 9 | IC50 | = | 9338.0 | nM | 5.03 | Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichi... | 26914985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26914985 | 10.1021/acs.jmedchem.5b01865 | Bromodomain-containing protein 9 | 2 |
| 26914985 | 10.1021/acs.jmedchem.5b01865 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine