Compound Detail
CHEMBL4204621
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Basic Information
| ChEMBL ID | CHEMBL4204621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UODRXVUFXXVRBH-UTKZUKDTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.99
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.9 | 6.9 | 126.0 | 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 | = | 46.0 | nM | 7.34 | Displacement of [3H]-(+)-Pentazocine from sigma 1 receptor in guinea pig brain c... | 29254894 |
| Sigma intracellular receptor 2 | Ki | = | 126.0 | nM | 6.9 | Displacement of [3H]-DTG from sigma 2 receptor in rat liver membranes after 120 ... | 29254894 |
| Unchecked | Ki | = | 252.0 | nM | 6.6 | Displacement of [3H]-ifenprodil from recombinant human GluN1a/GluN2B expressed i... | 29254894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29254894 | 10.1016/j.bmc.2017.12.010 | Unchecked | 3 |
| 29254894 | 10.1016/j.bmc.2017.12.010 | Sigma intracellular receptor 2 | 1 |
| 29254894 | 10.1016/j.bmc.2017.12.010 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine