Compound Detail
CHEMBL576787
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Basic Information
| ChEMBL ID | CHEMBL576787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYJKKZBMQNEKLK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
6.59
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.27 | 7.42 | 5.4 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 5.4 | nM | 8.27 | Inhibition of recombinant Braf V600E mutant | 19764794 |
| Tyrosine-protein kinase Lck | IC50 | = | 110.0 | nM | 6.96 | Inhibition of LCK | 19764794 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 270.0 | nM | 6.57 | Inhibition of Braf in human A375 cells assessed as inhibition of ERK phosphoryla... | 19764794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19764794 | 10.1021/jm901081g | Serine/threonine-protein kinase B-raf | 2 |
| 19764794 | 10.1021/jm901081g | Angiopoietin-1 receptor | 1 |
| 19764794 | 10.1021/jm901081g | Tyrosine-protein kinase Lck | 1 |
| 19764794 | 10.1021/jm901081g | Vascular endothelial growth factor receptor 2 | 1 |
| 19764794 | 10.1021/jm901081g | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine