Compound Detail
CHEMBL65239
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Basic Information
| ChEMBL ID | CHEMBL65239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHYAUNJNVMGZQN-NHCUHLMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
4.00
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL2125 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.58 | 6.58 | 266.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 15.8 | nM | 7.8 | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells aft... | 20889347 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 266.0 | nM | 6.58 | Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membra... | 20889347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765517 | 10.1021/jm9507486 | ADMET | 60 |
| 2374138 | 10.1021/jm00170a002 | Mus musculus | 4 |
| 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