Compound Detail
CHEMBL459935
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C/C(Cl)=C/Cn1c(N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL459935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKRXNUHPDWIIPI-IHESBTCNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.8
MW (Da)
2.31
ALogP
9
HBA
2
HBD
140.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 4.76 | 4.76 | 17360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 17360.0 | nM | 4.76 | 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