Compound Detail
CHEMBL292323
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COc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(OC)c4n3C)n(C)c12
Basic Information
| ChEMBL ID | CHEMBL292323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHAJMDDSMVHMGD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
622.8
MW (Da)
7.99
ALogP
8
HBA
2
HBD
86.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2111391 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of tyrosine phosphorylation activity of the pp60v-src tyrosine kinase... | 8027985 |
| Epidermal growth factor receptor | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of tyrosine phosphorylation activity of the epidermal growth factor r... | 8027985 |
| NIH3T3 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of Swiss 3T3 Mouse fibroblast proliferation | 8027985 |
| Fibroblast growth factor receptor | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of bFGF receptor autophosphorylation in mouse fibroblasts | 8027985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027985 | 10.1021/jm00039a016 | Epidermal growth factor receptor | 2 |
| 8027985 | 10.1021/jm00039a016 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 8027985 | 10.1021/jm00039a016 | NIH3T3 | 1 |
| 8027985 | 10.1021/jm00039a016 | Platelet-derived growth factor receptor | 1 |
| 8027985 | 10.1021/jm00039a016 | Fibroblast growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine