Compound Detail
CHEMBL5173523
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Basic Information
| ChEMBL ID | CHEMBL5173523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZGBCMQYDJZLBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.04
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in H... | 33826322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Sigma non-opioid intracellular receptor 1 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Cytochrome P450 1A2 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Cytochrome P450 2C9 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Cytochrome P450 2C19 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Cytochrome P450 2D6 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Cytochrome P450 2E1 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Cytochrome P450 3A4 | 1 |
| 33826322 | 10.1021/acs.jmedchem.1c00244 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine