Compound Detail
CHEMBL401695
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Basic Information
| ChEMBL ID | CHEMBL401695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPVCHCDBUMRZBA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
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 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 7.05 | 7.05 | 90.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 90.0 | nM | 7.05 | Inhibitory activity against recombinant human RAF proto-oncogene serine/threonin... | 10377223 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Raf1 kinase | 18346893 |
| MAP kinase p38 | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase) | 10377223 |
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 |
| 18346893 | 10.1016/j.bmcl.2008.02.068 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine