Compound Detail
CHEMBL3236194
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Basic Information
| ChEMBL ID | CHEMBL3236194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTROKUYAAGLOHK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.9
MW (Da)
4.32
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.6 | 6.845 | 25.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 25.0 | nM | 7.6 | Inhibition of full-length B-Raf V600E mutant (unknown origin) | 24675381 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 814.0 | nM | 6.09 | Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK p... | 24675381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24675381 | 10.1016/j.bmcl.2014.03.007 | Serine/threonine-protein kinase B-raf | 2 |
Data from ChEMBL 36 via Core Engine