Compound Detail
CHEMBL87435
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 | CHEMBL87435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAZLJWDRYXXPKQ-DHIUTWEWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
3.88
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL3313 | Ki | 7.74 | 7.74 | 18.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 18.36 | nM | 7.74 | 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 |
| 18324757 | 10.1021/jm700961r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine