Compound Detail
CHEMBL1342964
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Basic Information
| ChEMBL ID | CHEMBL1342964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKUQSDRZKMUIRQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
2.64
ALogP
6
HBA
0
HBD
77.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 5.31 | 5.07 | 4880.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 4880.0 | nM | 5.31 | PUBCHEM_BIOASSAY: SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) us... | - |
| Kappa-type opioid receptor | EC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: uHTS identification of small molecule agonists of the kappa op... | - |
| Kappa-type opioid receptor | EC50 | = | 11544.1 | nM | 4.94 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Agonists of the KOR Recep... | - |
Data from ChEMBL 36 via Core Engine