Compound Detail
CHEMBL1916359
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Basic Information
| ChEMBL ID | CHEMBL1916359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUZOBOALIFKXNA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
419.7
MW (Da)
6.30
ALogP
2
HBA
0
HBD
39.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Blood CHEMBL613416 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis | 21999461 |
| THP-1 | IC50 | = | 37.0 | nM | 7.43 | Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-indu... | 21999461 |
| Blood | IC50 | = | 360.0 | nM | 6.44 | Antiinflammatory activity in human whole blood assessed as inhibition of LPS-ind... | 21999461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21999461 | 10.1021/jm200975u | MAP kinase-activated protein kinase 2 | 2 |
| 21999461 | 10.1021/jm200975u | Mitogen-activated protein kinase 14 | 2 |
| 21999461 | 10.1021/jm200975u | Serine/threonine-protein kinase Chk1 | 1 |
| 21999461 | 10.1021/jm200975u | BDNF/NT-3 growth factors receptor | 1 |
| 21999461 | 10.1021/jm200975u | Ephrin type-A receptor 2 | 1 |
| 21999461 | 10.1021/jm200975u | Epidermal growth factor receptor | 1 |
| 21999461 | 10.1021/jm200975u | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 21999461 | 10.1021/jm200975u | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 21999461 | 10.1021/jm200975u | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 21999461 | 10.1021/jm200975u | Mast/stem cell growth factor receptor Kit | 1 |
| 21999461 | 10.1021/jm200975u | Casein kinase I isoform delta | 1 |
| 21999461 | 10.1021/jm200975u | Casein kinase I isoform gamma-1 | 1 |
| 21999461 | 10.1021/jm200975u | Cyclin-dependent kinase 6 | 1 |
| 21999461 | 10.1021/jm200975u | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 21999461 | 10.1021/jm200975u | Tyrosine-protein kinase BTK | 1 |
| 21999461 | 10.1021/jm200975u | Aurora kinase A | 1 |
| 21999461 | 10.1021/jm200975u | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 21999461 | 10.1021/jm200975u | ALK tyrosine kinase receptor | 1 |
| 21999461 | 10.1021/jm200975u | Tyrosine-protein kinase ABL1 | 1 |
| 21999461 | 10.1021/jm200975u | Blood | 1 |
Data from ChEMBL 36 via Core Engine