Compound Detail
CHEMBL1929234
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
CC1(C)OCC(CN2CCN(C(=O)c3cc(C(C)(C)C)sc3NC(=O)Nc3cccc(Cl)c3Cl)CCC2=O)O1
Basic Information
| ChEMBL ID | CHEMBL1929234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZUALHHRXIZANV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
597.6
MW (Da)
5.82
ALogP
6
HBA
2
HBD
100.2
PSA (Ų)
0.45
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.41 | 5.71 | 390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 su... | 22014550 |
| PBMC | IC50 | = | 390.0 | nM | 6.41 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 22014550 |
| PBMC | IC50 | = | 9700.0 | nM | 5.01 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 22014550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22014550 | 10.1016/j.bmcl.2011.09.078 | PBMC | 2 |
| 22014550 | 10.1016/j.bmcl.2011.09.078 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine