Compound Detail
CHEMBL1204052
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Basic Information
| ChEMBL ID | CHEMBL1204052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYUOWXQOGWQNRS-GZJHNZOKSA-N |
| Parent Compound | CHEMBL1089541 |
| Active Moiety | CHEMBL1089541 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
1.82
ALogP
4
HBA
2
HBD
69.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL3313 | Ki | 6.35 | 6.35 | 447.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 447.0 | nM | 6.35 | Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic syna... | 20218624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20218624 | 10.1021/jm9017916 | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine