Compound Detail
CHEMBL341437
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 | CHEMBL341437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYMPNIWEHHDXQA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.37
ALogP
7
HBA
0
HBD
69.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 6.8 | 6.8 | 158.8 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Hormone-sensitive lipase CHEMBL3590 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 158.82 | nM | 6.8 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
| Cholinesterase | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration against butyrylcholinesterase. | 14711311 |
| Hormone-sensitive lipase | IC50 | = | 9000.0 | nM | 5.05 | 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 | Cholinesterase | 1 |
| 14711311 | 10.1021/jm031004s | Acetylcholinesterase | 1 |
| 18808096 | 10.1021/jm800718k | Hormone-sensitive lipase | 1 |
Data from ChEMBL 36 via Core Engine