Compound Detail
CHEMBL4562592
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Basic Information
| ChEMBL ID | CHEMBL4562592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LONKZEWAZPHILC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
227.1
MW (Da)
1.70
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.44 | 4.9567 | 3600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding t... | 32208600 |
| Bromodomain-containing protein 4 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of N-terminal 6His-tagged human BRD4 BD1 (49 to 170 residues) express... | 34928151 |
| Bromodomain-containing protein 4 | IC50 | = | 19400.0 | nM | 4.71 | Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding t... | 32208600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Bromodomain-containing protein 4 | 3 |
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Histone acetyltransferase p300 | 1 |
| 34928151 | 10.1021/acs.jmedchem.1c01803 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine