Compound Detail
CHEMBL1929235
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CC(C)(C)c1cc(C(=O)N2CCC(=O)N(CCC(N)=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1
Basic Information
| ChEMBL ID | CHEMBL1929235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOXPEARIDHTHOH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
4.55
ALogP
5
HBA
3
HBD
124.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.8 | 6.23 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 su... | 22014550 |
| PBMC | IC50 | = | 160.0 | nM | 6.8 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 22014550 |
| PBMC | IC50 | = | 2200.0 | nM | 5.66 | 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