Compound Detail
CHEMBL4466553
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Basic Information
| ChEMBL ID | CHEMBL4466553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQZDYFRDRHRZGF-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.70
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.7 | 6.82 | 20.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 6.82 | 20.0 | 2 |
| Interleukin-17A CHEMBL3390822 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Interleukin-1 beta CHEMBL5069361 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of biotinylated H4 peptide binding to recombinant N-terminal Hist-tag... | 32324999 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of BRD BD2 (unknown origin) by alpha screen assay | 34547507 |
| Bromodomain-containing protein 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of BRD4 BD2 (unknown origin) | 37478496 |
| Bromodomain-containing protein 4 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of biotinylated H4 peptide binding to recombinant N-terminal Hist-tag... | 32324999 |
| Unchecked | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of BRD BD1 (unknown origin) by alpha screen assay | 34547507 |
| Bromodomain-containing protein 4 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of BRD4 BD1 (unknown origin) | 37478496 |
| Interleukin-17A | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of IL-17 in human PBMC | 35324195 |
| Interleukin-1 beta | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of IL-1beta in mouse BMDM cells | 35324195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32324999 | 10.1021/acs.jmedchem.0c00628 | Bromodomain-containing protein 4 | 3 |
| 34547507 | 10.1016/j.ejmech.2021.113853 | Unchecked | 3 |
| 37478496 | 10.1021/acs.jmedchem.3c01028 | Bromodomain-containing protein 4 | 2 |
| 35324195 | 10.1021/acs.jmedchem.1c01835 | Interleukin-1 beta | 1 |
| 35324195 | 10.1021/acs.jmedchem.1c01835 | Interleukin-17A | 1 |
| 37478496 | 10.1021/acs.jmedchem.3c01028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine