Compound Detail
CHEMBL13880
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
Basic Information
| ChEMBL ID | CHEMBL13880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPVIXTLWEIXXCD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.48
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.67 | 7.6667 | 21.6 | 3 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 21.6 | nM | 7.67 | Inhibitory concentration against mitogen-activated protein kinase p38 alpha | 11354358 |
| Mitogen-activated protein kinase 14 | IC50 | = | 21.6 | nM | 7.67 | Inhibition of p38alpha | 17706839 |
| Mitogen-activated protein kinase 14 | IC50 | = | 21.88 | nM | 7.66 | Inhibition of p38alpha | 17706839 |
| Bromodomain-containing protein 4 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli ... | 30253095 |
| Bromodomain testis-specific protein | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia... | 30253095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17706839 | 10.1016/j.ejmech.2007.06.009 | Mitogen-activated protein kinase 14 | 2 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Bromodomain testis-specific protein | 2 |
| 30253095 | 10.1021/acs.jmedchem.8b01248 | Bromodomain-containing protein 4 | 2 |
| 11354358 | 10.1016/s0960-894x(01)00163-9 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine