Compound Detail
CHEMBL2170053
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 | CHEMBL2170053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVFBDPXGXNHKEA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
2.92
ALogP
5
HBA
1
HBD
42.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.41 | 7.41 | 39.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.25 | 6.25 | 562.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 39.4 | nM | 7.41 | Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HE... | 22784008 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 39.0 | nM | 7.41 | Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in H... | 25658964 |
| Unchecked | Ki | = | 562.0 | nM | 6.25 | Displacement of [3H]di-o-tolylguanidine from sigma 2 receptor in guinea pig brai... | 22784008 |
| Unchecked | Ki | = | 562.0 | nM | 6.25 | Displacement of [3H]-DTG from sigma 2 receptor in guinea pig brain membrane afte... | 25658964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22784008 | 10.1021/jm3007323 | Unchecked | 1 |
| 22784008 | 10.1021/jm3007323 | Sigma non-opioid intracellular receptor 1 | 1 |
| 25658964 | 10.1021/jm501920g | Sigma non-opioid intracellular receptor 1 | 1 |
| 25658964 | 10.1021/jm501920g | Unchecked | 1 |
| 25658964 | 10.1021/jm501920g | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine