Compound Detail
CHEMBL526479
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Basic Information
| ChEMBL ID | CHEMBL526479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWEFZSZCLBHIEQ-YYADALCUSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.66
ALogP
6
HBA
2
HBD
75.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 10.52 | 9.6967 | 0.0 | 3 |
| Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.8 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.03 | nM | 10.52 | Inhibition of human recombinant B-Raf by fluorescence anisotropy | 18676143 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.03 | nM | 10.52 | Inhibition of BRAF (unknown origin) | 24424304 |
| Mitogen-activated protein kinase; ERK1/ERK2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of ERK1/2 phosphorylation in human MALME3M cells | 18676143 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 9.0 | nM | 8.05 | Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation | 24424304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24424304 | 10.1016/j.ejmech.2013.11.018 | Serine/threonine-protein kinase B-raf | 2 |
| 18676143 | 10.1016/j.bmcl.2008.07.002 | Serine/threonine-protein kinase B-raf | 1 |
| 18676143 | 10.1016/j.bmcl.2008.07.002 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 18676143 | 10.1016/j.bmcl.2008.07.002 | Hepatocyte | 1 |
| 18676143 | 10.1016/j.bmcl.2008.07.002 | No relevant target | 1 |
| 18676143 | 10.1016/j.bmcl.2008.07.002 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine