Compound Detail
CHEMBL1213922
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Basic Information
| ChEMBL ID | CHEMBL1213922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQIBSZYZJIEVJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.23
ALogP
6
HBA
2
HBD
86.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expre... | 20621496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621496 | 10.1016/j.bmc.2010.05.063 | Tyrosine-protein kinase ABL1 | 1 |
| 20621496 | 10.1016/j.bmc.2010.05.063 | Serine/threonine-protein kinase B-raf | 1 |
| 20621496 | 10.1016/j.bmc.2010.05.063 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine