Compound Detail
CHEMBL90556
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Basic Information
| ChEMBL ID | CHEMBL90556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYKJYXDJZODBAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL3313 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | IC50 | = | 115.0 | nM | 6.94 | Displacement of [3H]vesamicol from Vesamicol receptor of Torpedo californica | 1875353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875353 | 10.1021/jm00112a044 | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine