Compound Detail
CHEMBL62843
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Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccc(O)c3n2C)c(C(=O)Nc2ccccc2)c2cccc(O)c21
Basic Information
| ChEMBL ID | CHEMBL62843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVIOTQVUWWUVNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
594.7
MW (Da)
7.39
ALogP
8
HBA
4
HBD
108.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of tyrosine phosphorylation activity of the epidermal growth factor r... | 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