Compound Detail
CHEMBL1956465
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
CCN(C(=O)C[18F])c1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL1956465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUVWOAUSAZFXJD-PWSGCDAXSA-N |
| Parent Compound | CHEMBL262612 |
| Active Moiety | CHEMBL262612 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.72
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 9.49 | 9.49 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 0.32 | nM | 9.49 | Binding affinity to VAchT | 22365760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22365760 | 10.1016/j.bmcl.2012.01.127 | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine