Compound Detail
CHEMBL130478
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Basic Information
| ChEMBL ID | CHEMBL130478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBOHEFQKBNWFPO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
3.10
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
| Hormone-sensitive lipase CHEMBL3590 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 1.76 | nM | 8.75 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
| Hormone-sensitive lipase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of hormone sensitive lipase (HSL). | 14711311 |
| Cholinesterase | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against butyrylcholinesterase. | 14711311 |
| Acetylcholinesterase | IC50 | = | 800.0 | nM | 6.1 | Inhibitory concentration against acetylcholinesterase | 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 |
| 26222445 | 10.1021/acs.jmedchem.5b00434 | Acetylcholinesterase | 1 |
| 26222445 | 10.1021/acs.jmedchem.5b00434 | Hormone-sensitive lipase | 1 |
Data from ChEMBL 36 via Core Engine