Compound Detail
CHEMBL4204069
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Basic Information
| ChEMBL ID | CHEMBL4204069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMRXQKGLHQPYKW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.12
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B receptor exp... | 28704758 |
| Sigma intracellular receptor 2 | Ki | = | 300.0 | nM | 6.52 | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mi... | 28704758 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1300.0 | nM | 5.89 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 28704758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Unchecked | 4 |
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine