Compound Detail
CHEMBL339995
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Basic Information
| ChEMBL ID | CHEMBL339995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISTWOSNIZSCOAJ-MDZDMXLPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.70
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 6.05 | 6.05 | 882.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 370.0 | nM | 6.43 | Inhibitory concentration against butyrylcholinesterase. | 14711311 |
| Hormone-sensitive lipase | IC50 | = | 882.35 | nM | 6.05 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
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