Compound Detail
CHEMBL198334
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Basic Information
| ChEMBL ID | CHEMBL198334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUKIIQWKXMTFAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
4.74
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 15.0 | nM | 7.82 | In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha | 16162000 |
| THP-1 | IC50 | = | 73.0 | nM | 7.14 | In vitro inhibitory activity against lipopolysaccharide-stimulated release of tu... | 16162000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 4 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 3 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| 16162000 | 10.1021/jm050165o | Mitogen-activated protein kinase 14 | 1 |
| 16162000 | 10.1021/jm050165o | THP-1 | 1 |
| 16162000 | 10.1021/jm050165o | Cytochrome P450 3A4 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine