Compound Detail
CHEMBL1271850
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Basic Information
| ChEMBL ID | CHEMBL1271850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDERQSYUBLZZNW-VXKWHMMOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.74
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL2125 | Ki | 7.25 | 7.25 | 56.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.57 | 6.57 | 269.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 56.9 | nM | 7.25 | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells aft... | 20889347 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 269.0 | nM | 6.57 | Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membra... | 20889347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20889347 | 10.1016/j.bmc.2010.08.028 | Unchecked | 2 |
| 20889347 | 10.1016/j.bmc.2010.08.028 | Vesicular acetylcholine transporter | 1 |
| 20889347 | 10.1016/j.bmc.2010.08.028 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine