Compound Detail
CHEMBL1824285
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Basic Information
| ChEMBL ID | CHEMBL1824285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGUYROQAJPQEKG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
5.51
ALogP
8
HBA
2
HBD
120.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.14
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | Kd | 7.14 | 7.14 | 72.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | Kd | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 62.0 | nM | 7.21 | Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells | 21807507 |
| Serine/threonine-protein kinase B-raf | Kd | = | 72.0 | nM | 7.14 | Binding affinity to BRAF V600E mutant | 21807507 |
| RAF proto-oncogene serine/threonine-protein kinase | Kd | = | 750.0 | nM | 6.12 | Competition Binding Assay: Competition binding assays used herein were developed... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21807507 | 10.1016/j.bmcl.2011.07.019 | Serine/threonine-protein kinase B-raf | 2 |
Data from ChEMBL 36 via Core Engine