Compound Detail
CHEMBL4249028
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Basic Information
| ChEMBL ID | CHEMBL4249028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXGZJDLUVGLRMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.91
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 24.0 | nM | 7.62 | Inhibition of BRAF V600E mutant (unknown origin) after 20 mins by immunoblotting... | 29407977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407977 | 10.1016/j.ejmech.2018.01.053 | Serine/threonine-protein kinase B-raf | 2 |
| 29407977 | 10.1016/j.ejmech.2018.01.053 | Bcr/Abl fusion protein | 1 |
| 29407977 | 10.1016/j.ejmech.2018.01.053 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine