Compound Detail
CHEMBL3798516
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Basic Information
| ChEMBL ID | CHEMBL3798516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STVYRNAAKPYOJY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
3.36
ALogP
8
HBA
3
HBD
134.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.51 | 6.9033 | 31.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 31.0 | nM | 7.51 | Inhibition of B-Raf V600E mutant (unknown origin) assessed as MEK1 phosphorylati... | 27085672 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 179.0 | nM | 6.75 | Inhibition of wild type B-Raf (unknown origin) assessed as MEK1 phosphorylation ... | 27085672 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 356.0 | nM | 6.45 | Inhibition of B-Raf V600E mutant in human A375 cells assessed as ERK phosphoryla... | 27085672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27085672 | 10.1016/j.bmc.2016.03.055 | Serine/threonine-protein kinase B-raf | 3 |
| 27085672 | 10.1016/j.bmc.2016.03.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine