Compound Detail
CHEMBL462473
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C/C(=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL462473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQIFJVLALMSVMO-CFRMEGHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
2.22
ALogP
9
HBA
2
HBD
140.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human cloned wild type BRAF by ELISA-based MEK phosphorylation ass... | 18783202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783202 | 10.1021/jm800539g | Serine/threonine-protein kinase B-raf | 1 |
Data from ChEMBL 36 via Core Engine