Compound Detail
CHEMBL133580
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Basic Information
| ChEMBL ID | CHEMBL133580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXFMPWBMCUITTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.0
MW (Da)
6.38
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Hormone-sensitive lipase CHEMBL3590 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 7.06 | nM | 8.15 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
| Hormone-sensitive lipase | IC50 | = | 400.0 | nM | 6.4 | 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