Compound Detail
CHEMBL460137
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Basic Information
| ChEMBL ID | CHEMBL460137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTFCZAWGUWVLNZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.08
ALogP
8
HBA
1
HBD
82.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 5.76 | 5.76 | 1720.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 1720.0 | nM | 5.76 | Inhibition of human cloned wild type BRAF by ELISA-based MEK phosphorylation ass... | 18783202 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human recombinant PI3Kgamma catalytic domain | 18783202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783202 | 10.1021/jm800539g | Serine/threonine-protein kinase B-raf | 1 |
| 18783202 | 10.1021/jm800539g | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine