Compound Detail
CHEMBL321312
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Basic Information
| ChEMBL ID | CHEMBL321312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMCXBKOIWAKVBJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
5.13
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.74
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 4.66 | 4.66 | 22000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory concentration against raf kinase. | 11591521 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of Raf-1 | 18947905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591521 | 10.1016/s0960-894x(01)00571-6 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18947905 | 10.1016/j.ejmech.2008.09.016 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine