Compound Detail
CHEMBL4215740
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Basic Information
| ChEMBL ID | CHEMBL4215740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJJIHOBVYYTMMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.73
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1600.0 | nM | 5.8 | Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B receptor exp... | 28704758 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1800.0 | nM | 5.75 | 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