Compound Detail
CHEMBL142463
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CC(C)N1CCC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL142463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEBBTQWFFYQVCM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.9
MW (Da)
7.30
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 8.96 | 8.125 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of p38 MAP kinase | 12565952 |
| MAP kinase p38 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of p38 kinase related TNF-alpha release | 12565952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565952 | 10.1016/s0960-894x(02)00990-3 | MAP kinase p38 | 2 |
Data from ChEMBL 36 via Core Engine