Compound Detail
CHEMBL4474370
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23
Basic Information
| ChEMBL ID | CHEMBL4474370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRSQXGKXNOKHJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
5.08
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.18 | 6.18 | 665.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 665.7 | nM | 6.18 | Displacement of tetra-acetylated histone H4 peptide (1-21) from recombinant huma... | 31789032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31789032 | 10.1021/acs.jmedchem.9b01010 | Bromodomain-containing protein 4 | 2 |
Data from ChEMBL 36 via Core Engine