Compound Detail
CHEMBL64430
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Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc([N+](=O)[O-])ccc3n2C)c(C(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21
Basic Information
| ChEMBL ID | CHEMBL64430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGEHDKGYSLPVOE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
652.7
MW (Da)
7.79
ALogP
10
HBA
2
HBD
154.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of tyrosine phosphorylation activity of the epidermal growth factor r... | 8027985 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of tyrosine phosphorylation activity of the pp60v-src tyrosine kinase... | 8027985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027985 | 10.1021/jm00039a016 | Epidermal growth factor receptor | 1 |
| 8027985 | 10.1021/jm00039a016 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine