Compound Detail
CHEMBL86816
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 | CHEMBL86816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCNHGNHAMPZOO-JWQCQUIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
4.13
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL3313 | Ki | 8.58 | 8.58 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 2.638 | nM | 8.58 | In vitro binding affinity to vesamicol receptor using [3H]vesamicol. | 8057300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057300 | 10.1021/jm00042a010 | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine