Compound Detail
CHEMBL68215
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Basic Information
| ChEMBL ID | CHEMBL68215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAXXIJHKIXSMOM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.51
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Kd 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 6.5 | 6.5 | 316.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.47 | 6.47 | 339.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | Kd | = | 316.0 | nM | 6.5 | Binding affinity at bRaf kinase in fluorescent ligand displacement assay | 16260133 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 339.0 | nM | 6.47 | Inhibition bRaf kinase activity | 16260133 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 390.0 | nM | 6.41 | Inhibitory activity against recombinant human RAF proto-oncogene serine/threonin... | 10377223 |
| MAP kinase p38 | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase) | 10377223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Serine/threonine-protein kinase B-raf | 2 |
| 10377223 | 10.1021/jm9805236 | MAP kinase p38 | 1 |
| 10377223 | 10.1021/jm9805236 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine