Compound Detail
CHEMBL4294787
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Basic Information
| ChEMBL ID | CHEMBL4294787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSKKFHWSKOYZAZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
6.58
ALogP
5
HBA
1
HBD
55.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL2331061 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 5.28 | 5.28 | 5230.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 4.05 | 4.05 | 88900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 10.0 | nM | 8.0 | Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant h... | 29940463 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 3150.0 | nM | 5.5 | Inhibition of recombinant human GST-tagged c-RAF (306 to 648 residues) Y340D/Y34... | 29940463 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 5230.0 | nM | 5.28 | Inhibition of recombinant human full length GST-tagged wild type BRAF expressed ... | 29940463 |
| Mitogen-activated protein kinase 8 | IC50 | = | 88900.0 | nM | 4.05 | Inhibition of N-terminal flag-tagged JNK1 (unknown origin) expressed in baculovi... | 29940463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29940463 | 10.1016/j.ejmech.2018.06.043 | Serine/threonine-protein kinase B-raf | 3 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | A-375 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | WM 266-4 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | Unchecked | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | HT-29 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | HCT-116 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | HEK-293T | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | L02 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | Mitogen-activated protein kinase 8 | 1 |
| 29940463 | 10.1016/j.ejmech.2018.06.043 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine