Compound Detail
CHEMBL2385551
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 | CHEMBL2385551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQMPXSFPENXIAB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.85
ALogP
3
HBA
1
HBD
64.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.62 | 7.62 | 24.0 | 2 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.56 | 6.56 | 274.0 | 2 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.15 | 6.15 | 708.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of recombinant GST-tagged p38alpha MAP kinase (unknown origin) | 23602399 |
| Mitogen-activated protein kinase 14 | IC50 | = | 24.0 | nM | 7.62 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 274.0 | nM | 6.56 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 274.0 | nM | 6.56 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
| Casein kinase I isoform delta | IC50 | = | 708.0 | nM | 6.15 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform delta | IC50 | = | 708.0 | nM | 6.15 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23602399 | 10.1016/j.bmcl.2013.03.103 | Unchecked | 2 |
| 23602399 | 10.1016/j.bmcl.2013.03.103 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine