Compound Detail
CHEMBL3091466
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Basic Information
| ChEMBL ID | CHEMBL3091466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJVPSWKDHGPFEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
5.46
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sonic hedgehog protein CHEMBL5387 | IC50 | 9.27 | 9.27 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sonic hedgehog protein | IC50 | = | 0.54 | nM | 9.27 | Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs ... | 24176396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24176396 | 10.1016/j.bmcl.2013.10.022 | Sonic hedgehog protein | 1 |
Data from ChEMBL 36 via Core Engine