Compound Detail
CHEMBL225653
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
Basic Information
| ChEMBL ID | CHEMBL225653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSVAQHRLHGGGMI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
1.64
ALogP
8
HBA
0
HBD
101.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.21 | 6.21 | 619.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 619.0 | nM | 6.21 | Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor | 17328523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17328523 | 10.1021/jm0611197 | Sigma non-opioid intracellular receptor 1 | 1 |
| 17328523 | 10.1021/jm0611197 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine