Compound Detail
CHEMBL194352
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COc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL194352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJEOPJJXRIIVFU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
4.75
ALogP
10
HBA
1
HBD
107.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.92 | 7.835 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1.2 | nM | 8.92 | Inhibitory concentration against Src kinase | 16161995 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 180.0 | nM | 6.75 | Inhibitory concentration against Src-transformed fibroblast proliferation | 16161995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16161995 | 10.1021/jm050512u | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine