Compound Detail
CHEMBL1796189
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O=C(NNC(=O)c1ccc(-c2ccccc2COc2cccc(C(F)(F)F)c2)cc1)C(=O)c1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL1796189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWHWCXWOAWCNNW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
6.08
ALogP
4
HBA
3
HBD
100.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 620.0 | nM | 6.21 | Inhibition of SRC assessed as incorporation of p33 using [gammaP33]-ATP by micro... | 21524503 |
| Insulin-like growth factor 1 receptor | IC50 | = | 810.0 | nM | 6.09 | Inhibition of IGF-1R assessed as incorporation of p33 using [gammaP33]-ATP by mi... | 21524503 |
| Hepatocyte growth factor receptor | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of c-MET assessed as incorporation of p33 using [gammaP33]-ATP by mic... | 21524503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21524503 | 10.1016/j.ejmech.2011.03.065 | Hepatocyte growth factor receptor | 1 |
| 21524503 | 10.1016/j.ejmech.2011.03.065 | Insulin-like growth factor 1 receptor | 1 |
| 21524503 | 10.1016/j.ejmech.2011.03.065 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine