Compound Detail
CHEMBL20499
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL20499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUVNANCEFYIYHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
3.35
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | IC50 | = | 50.0 | nM | 7.3 | 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 |
Data from ChEMBL 36 via Core Engine