Compound Detail
CHEMBL3401168
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Basic Information
| ChEMBL ID | CHEMBL3401168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQUOYRVMTVUYSM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
7.48
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of rat hormone sensitive lipase assessed as oleic acid release from [... | 25678014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacterium tuberculosis H37Rv | 2 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Unchecked | 2 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacteroides abscessus | 2 |
| 25678014 | 10.1016/j.bmc.2015.01.028 | Hormone-sensitive lipase | 1 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | RAW264.7 | 1 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacterium tuberculosis | 1 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacterium | 1 |
| 35647542 | 10.1039/d1md00359c | Mycobacteroides abscessus | 1 |
Data from ChEMBL 36 via Core Engine