Compound Detail
CHEMBL1271961
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Basic Information
| ChEMBL ID | CHEMBL1271961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGLFODKWSQEXFG-NHCUHLMSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.53
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.45 | 8.45 | 3.6 | 1 |
| Vesicular acetylcholine transporter CHEMBL2125 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.6 | 6.6 | 252.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3.57 | nM | 8.45 | Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membra... | 20889347 |
| Vesicular acetylcholine transporter | Ki | = | 3.68 | nM | 8.43 | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells aft... | 20889347 |
| Unchecked | Ki | = | 252.0 | nM | 6.6 | Displacement of (-)-[3H]DTG from sigma 2 receptor in rat liver membranes after 1... | 20889347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20889347 | 10.1016/j.bmc.2010.08.028 | Unchecked | 3 |
| 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