Compound Detail
CHEMBL430419
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Basic Information
| ChEMBL ID | CHEMBL430419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHSPKBWIYMIFKX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
5.46
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 7.25 | 7.25 | 56.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 48.0 | nM | 7.32 | Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase) | 10377223 |
| Unchecked | IC50 | = | 48.0 | nM | 7.32 | Inhibition of p38 MAPK | 18578517 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 56.0 | nM | 7.25 | Inhibitory activity against recombinant human RAF proto-oncogene serine/threonin... | 10377223 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human c-RAF at 10 uM | 18578517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377223 | 10.1021/jm9805236 | MAP kinase p38 | 1 |
| 10377223 | 10.1021/jm9805236 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18578517 | 10.1021/jm701529q | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18578517 | 10.1021/jm701529q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine