Compound Detail
CHEMBL20463
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Basic Information
| ChEMBL ID | CHEMBL20463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPVNWNSCIMFVSA-XUVXKRRUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
4.44
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | IC50 | = | 20.0 | nM | 7.7 | Inhibition of active transport of [3H]acetylcholine using purified Torpedo calif... | 2724295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2724295 | 10.1021/jm00126a013 | Vesicular acetylcholine transporter | 1 |
| 2724295 | 10.1021/jm00126a013 | Mus musculus | 1 |
| 18324757 | 10.1021/jm700961r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine