Compound Detail
CHEMBL335112
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL335112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZDKPVJHMBQMMC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
5.21
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Hormone-sensitive lipase CHEMBL3590 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 1.09 | nM | 8.96 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
| Hormone-sensitive lipase | IC50 | = | 62.0 | nM | 7.21 | Inhibition of hormone sensitive lipase (HSL). | 14711311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711311 | 10.1021/jm031004s | Hormone-sensitive lipase | 1 |
| 14711311 | 10.1021/jm031004s | Acetylcholinesterase | 1 |
| 18808096 | 10.1021/jm800718k | Hormone-sensitive lipase | 1 |
Data from ChEMBL 36 via Core Engine