Compound Detail
CHEMBL606771
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Basic Information
| ChEMBL ID | CHEMBL606771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZMIRDYCNXDMGZ-BSWAZPDLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
1.04
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 8.85 | 8.325 | 1.4 | 2 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.18 | 4.18 | 65300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 1.4 | nM | 8.85 | Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid recepto... | 6094809 |
| Opioid receptor | IC50 | = | 16.0 | nM | 7.8 | Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid recepto... | 6094809 |
| Acetylcholinesterase | IC50 | = | 65300.0 | nM | 4.18 | Inhibition of electric eel AChE by Ellman's method | 20580236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6094809 | 10.1021/jm00378a009 | Opioid receptor | 3 |
| 6094809 | 10.1021/jm00378a009 | Mus musculus | 2 |
| 20580236 | 10.1016/j.bmc.2010.05.071 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine