Compound Detail
CHEMBL3805052
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3805052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGRWKZAKOKYXRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.41
ALogP
5
HBA
0
HBD
47.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 83600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 83600.0 | nM | 4.08 | Inhibition of mouse full length GST-tagged BRAF V600E mutant assessed as reducti... | 27238841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27238841 | 10.1016/j.bmc.2016.05.012 | Unchecked | 1 |
| 27238841 | 10.1016/j.bmc.2016.05.012 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine