Compound Detail
CHEMBL1778401
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Basic Information
| ChEMBL ID | CHEMBL1778401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCLUDSMFDMYTMT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.98
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
EC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 4.0 | nM | 8.4 | Inhibition of B-Raf V599E mutant assessed as phosphorylation of MEK1/2 by ELISA | 21543226 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA | 21543226 |
| Serine/threonine-protein kinase B-raf | EC50 | = | 3700.0 | nM | 5.43 | Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human SKMEL-28 c... | 21543226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21543226 | 10.1016/j.bmcl.2011.04.023 | Serine/threonine-protein kinase B-raf | 2 |
| 21543226 | 10.1016/j.bmcl.2011.04.023 | Caco-2 | 1 |
| 21543226 | 10.1016/j.bmcl.2011.04.023 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine