Compound Detail
CHEMBL1824286
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Basic Information
| ChEMBL ID | CHEMBL1824286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFLLFLVJFIUHDF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
5.65
ALogP
8
HBA
2
HBD
120.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Kd 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 7.34 | 7.34 | 46.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 14.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | Kd | = | 46.0 | nM | 7.34 | Binding affinity to BRAF V600E mutant | 21807507 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 113.0 | nM | 6.95 | Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells | 21807507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21807507 | 10.1016/j.bmcl.2011.07.019 | Serine/threonine-protein kinase B-raf | 2 |
| 21807507 | 10.1016/j.bmcl.2011.07.019 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine