Compound Detail
CHEMBL199632
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
COC(=O)C(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL199632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEUUXALSENZKFO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.9
MW (Da)
7.89
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.59 | 7.8833 | 2.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.59 | nM | 8.59 | Inhibition of TNF alpha release in THP1 cells | 16242322 |
| Mitogen-activated protein kinase 14 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of P38 alpha MAPK | 16242322 |
| Mitogen-activated protein kinase 14 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of LPS stimulated TNF alpha release in whole blood | 16242322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16242322 | 10.1016/j.bmcl.2005.09.065 | Mitogen-activated protein kinase 14 | 3 |
Data from ChEMBL 36 via Core Engine