Compound Detail
CHEMBL2385557
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Basic Information
| ChEMBL ID | CHEMBL2385557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSSVIZLKIGCSBI-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
6.41
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.56 | 6.56 | 277.0 | 2 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.31 | 6.31 | 490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant GST-tagged p38alpha MAP kinase (unknown origin) | 23602399 |
| Mitogen-activated protein kinase 14 | IC50 | = | 20.0 | nM | 7.7 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 277.0 | nM | 6.56 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform epsilon | IC50 | = | 277.0 | nM | 6.56 | LanthaScreen Eu Kinase Binding Assay: Table 3: Small molecules were tested for t... | - |
| Casein kinase I isoform delta | IC50 | = | 490.0 | nM | 6.31 | Kinase Assay : Table 2: The p38 MAPK IC50 values of selected compounds except IM... | - |
| Casein kinase I isoform delta | IC50 | = | 490.0 | nM | 6.31 | 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 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine