Compound Detail
CHEMBL426476
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Basic Information
| ChEMBL ID | CHEMBL426476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKGOUELCADFHSY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
3.18
ALogP
5
HBA
3
HBD
94.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Kd 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 7.62 | 7.62 | 24.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | Kd | = | 24.0 | nM | 7.62 | Binding affinity at bRaf kinase in fluorescent ligand displacement assay | 16260133 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 40.0 | nM | 7.4 | Inhibition bRaf kinase activity | 16260133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16260133 | 10.1016/j.bmcl.2005.09.072 | Serine/threonine-protein kinase B-raf | 2 |
Data from ChEMBL 36 via Core Engine