Compound Detail
CHEMBL2160078
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Basic Information
| ChEMBL ID | CHEMBL2160078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYWZXFGBEZZQSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.14
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein smoothened CHEMBL6080 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein smoothened | IC50 | = | 0.2 | nM | 9.7 | Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibi... | 23036954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23036954 | 10.1016/j.bmcl.2012.09.013 | Protein smoothened | 1 |
Data from ChEMBL 36 via Core Engine