Compound Detail
CHEMBL216668
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Basic Information
| ChEMBL ID | CHEMBL216668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHRQJLLCYNFCCT-ONEGZZNKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.27
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.4 | 6.4 | 398.0 | 2 |
| Molecular identity unknown CHEMBL612546 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 398.11 | nM | 6.4 | Inhibition of c-RAF1/MEK1/ERK2 signalling pathway by SPA | 16890436 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of c-RAF | 16890436 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 398.0 | nM | 6.4 | Inhibition of Raf1 kinase | 18346893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16890436 | 10.1016/j.bmcl.2006.07.063 | Molecular identity unknown | 1 |
| 16890436 | 10.1016/j.bmcl.2006.07.063 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 16890436 | 10.1016/j.bmcl.2006.07.063 | Mitogen-activated protein kinase 10 | 1 |
| 16890436 | 10.1016/j.bmcl.2006.07.063 | MAP kinase p38 | 1 |
| 18346893 | 10.1016/j.bmcl.2008.02.068 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine