Compound Detail
CHEMBL1564473
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Basic Information
| ChEMBL ID | CHEMBL1564473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTZNNTAZEWPSFQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
4.93
ALogP
6
HBA
0
HBD
56.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 5.44 | 5.235 | 3630.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 3630.0 | nM | 5.44 | PUBCHEM_BIOASSAY: SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) us... | - |
| Kappa-type opioid receptor | EC50 | = | 5599.25 | nM | 5.25 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Agonists of the KOR Recep... | - |
| Kappa-type opioid receptor | EC50 | = | 6760.0 | nM | 5.17 | PUBCHEM_BIOASSAY: SAR analysis of small molecule agonists of the kappa opioid re... | - |
| Kappa-type opioid receptor | EC50 | = | 8350.0 | nM | 5.08 | PUBCHEM_BIOASSAY: uHTS identification of small molecule agonists of the kappa op... | - |
Data from ChEMBL 36 via Core Engine