Compound Detail
CHEMBL335033
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Basic Information
| ChEMBL ID | CHEMBL335033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCWFKSMUNCZMFT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.35
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Hormone-sensitive lipase CHEMBL3590 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration against acetylcholinesterase | 14711311 |
| Cholinesterase | IC50 | = | 130.0 | nM | 6.89 | Inhibitory concentration against butyrylcholinesterase. | 14711311 |
| Hormone-sensitive lipase | IC50 | = | 2000.0 | nM | 5.7 | 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 |
Data from ChEMBL 36 via Core Engine