Compound Detail
CHEMBL420231
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Basic Information
| ChEMBL ID | CHEMBL420231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZGYXKHNMJBZKD-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.46
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.85
EC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | Kd | 7.85 | 7.85 | 14.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | EC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | Kd | = | 14.0 | nM | 7.85 | Evaluated for inhibition of human mitogen-activated protein kinase p38 | 15115396 |
| MAP kinase p38 | Kd | = | 14.0 | nM | 7.85 | Binding affinity for human recombinant Mitogen-activated protein kinase p38 in a... | 12086485 |
| MAP kinase p38 | EC50 | = | 770.0 | nM | 6.11 | Inhibition of LPS-induced tumor necrosis factor-alpha (TNF-alpha) production in ... | 12086485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086485 | 10.1021/jm020057r | MAP kinase p38 | 2 |
| 15115396 | 10.1021/jm0304358 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine