Compound Detail
CHEMBL4127310
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Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2
Basic Information
| ChEMBL ID | CHEMBL4127310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNMUEVRJHCWKTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
5.53
ALogP
7
HBA
2
HBD
92.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of BRD4 (unknown origin) | 29764756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29764756 | 10.1016/j.bmc.2018.05.010 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine