Compound Detail
CHEMBL198456
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 | CHEMBL198456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPBZEBLTFIONGE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.22
ALogP
8
HBA
3
HBD
120.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | Ki | = | 14.0 | nM | 7.85 | Binding affinity for human p38 MAP kinase expressed in Escherichia coli using [g... | 16190753 |
| PBMC | IC50 | = | 72000.0 | nM | 4.14 | Concentration required to inhibit LPS-induced TNFalpha production in human perip... | 16190753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190753 | 10.1021/jm0503594 | MAP kinase p38 | 1 |
| 16190753 | 10.1021/jm0503594 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine