Compound Detail
CHEMBL1594497
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Basic Information
| ChEMBL ID | CHEMBL1594497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOZNDRYNJWTXRL-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
4.82
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.6
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.45 | 5.445 | 3540.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.6 | 4.6 | 25300.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 4.51 | 4.51 | 30700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 3540.0 | nM | 5.45 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid... | - |
| Kappa-type opioid receptor | IC50 | = | 3620.0 | nM | 5.44 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR)... | - |
| Mu-type opioid receptor | EC50 | = | 25300.0 | nM | 4.6 | PUBCHEM_BIOASSAY: SAR Analysis of Agonists of the MOR Receptor using an Image-Ba... | - |
| Delta-type opioid receptor | EC50 | = | 30700.0 | nM | 4.51 | PUBCHEM_BIOASSAY: SAR Analysis of Agonists of the DOR Receptor using an Image-Ba... | - |
Data from ChEMBL 36 via Core Engine