Compound Detail
CHEMBL4171094
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Basic Information
| ChEMBL ID | CHEMBL4171094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDSOWPWCHPFNMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.5
MW (Da)
5.27
ALogP
4
HBA
1
HBD
38.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Danio rerio CHEMBL613963 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Danio rerio | EC50 | = | 70.0 | nM | 7.16 | Lipid lowering activity in zebrafish embryos by Nile red fat metabolism assay | 29626799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29626799 | 10.1016/j.ejmech.2018.03.036 | Danio rerio | 4 |
| 29626799 | 10.1016/j.ejmech.2018.03.036 | 3T3-L1 | 2 |
Data from ChEMBL 36 via Core Engine