Compound Detail
CHEMBL371952
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Basic Information
| ChEMBL ID | CHEMBL371952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIHXMCSSAUGRNS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
4.76
ALogP
4
HBA
2
HBD
74.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Kd 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 8.38 | 8.38 | 4.2 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | Kd | = | 4.2 | nM | 8.38 | Binding affinity at bRaf kinase in fluorescent ligand displacement assay | 16260133 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 13.0 | nM | 7.89 | 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