Compound Detail
CHEMBL5418375
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Basic Information
| ChEMBL ID | CHEMBL5418375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHKAUCIPZUXCJC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.04
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.56
Ki 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.56 | 6.56 | 275.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 275.2 | nM | 6.56 | Agonist activity at mu-opioid receptor (unknown origin) expressed in CHO cells a... | 38015878 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 8300.0 | nM | 5.08 | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membra... | 38015878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Mus musculus | 5 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Sigma non-opioid intracellular receptor 1 | 2 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | ADMET | 2 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine