Compound Detail
CHEMBL59812
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CC(=O)Oc1cccc2c1c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3c(OC(C)=O)cccc3n1C)n2C
Basic Information
| ChEMBL ID | CHEMBL59812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURYYBJWNGTKQC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
678.8
MW (Da)
7.82
ALogP
10
HBA
2
HBD
120.7
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 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 650.0 | nM | 6.19 | Inhibition of tyrosine phosphorylation activity of the pp60v-src tyrosine kinase... | 8027985 |
| Epidermal growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | 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