Compound Detail
CHEMBL129363
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 | CHEMBL129363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMDFRNFDFSNOJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
5.05
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 6.42 | 6.42 | 380.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.33 | 6.33 | 463.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 380.11 | nM | 6.42 | Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles | 9397171 |
| Sodium-dependent dopamine transporter | Ki | = | 463.6 | nM | 6.33 | Binding affinity for dopamine transporter was determined in rat striatal membran... | 9397171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397171 | 10.1021/jm970326r | Vesicular acetylcholine transporter | 1 |
| 9397171 | 10.1021/jm970326r | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine