Compound Detail
CHEMBL4211914
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Basic Information
| ChEMBL ID | CHEMBL4211914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMMXYNUZMFRSPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.47
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1000.0 | nM | 6.0 | Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after ... | 29656650 |
| PBMC | IC50 | = | 1258.93 | nM | 5.9 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced MC... | 29656650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29656650 | 10.1021/acs.jmedchem.7b01666 | Bromodomain-containing protein 4 | 3 |
| 29656650 | 10.1021/acs.jmedchem.7b01666 | No relevant target | 1 |
| 29656650 | 10.1021/acs.jmedchem.7b01666 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine