Compound Detail
CHEMBL3401172
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Basic Information
| ChEMBL ID | CHEMBL3401172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRXYJHDZLJKPIN-OGVWKLGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.7
MW (Da)
8.96
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of rat hormone sensitive lipase assessed as oleic acid release from [... | 25678014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25678014 | 10.1016/j.bmc.2015.01.028 | Hormone-sensitive lipase | 1 |
Data from ChEMBL 36 via Core Engine