Compound Detail
CHEMBL1384726
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Basic Information
| ChEMBL ID | CHEMBL1384726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJBJGFACSBPWFU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.62
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.08 | 5.7133 | 824.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 824.0 | nM | 6.08 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
| Kappa-type opioid receptor | IC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Kappa-type opioid receptor | IC50 | = | 3280.0 | nM | 5.48 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid... | - |
Data from ChEMBL 36 via Core Engine