Compound Detail
CHEMBL1796172
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Basic Information
| ChEMBL ID | CHEMBL1796172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOOKBPCIKWPQGY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
1.72
ALogP
5
HBA
3
HBD
134.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein smoothened CHEMBL5971 | Ki | 6.77 | 6.77 | 168.1 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein smoothened | Ki | = | 168.1 | nM | 6.77 | Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant hu... | 28787156 |
| Hepatocyte growth factor receptor | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of c-MET assessed as incorporation of p33 using [gammaP33]-ATP by mic... | 21524503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28787156 | 10.1021/acs.jmedchem.7b00794 | Protein smoothened | 6 |
| 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