Compound Detail
CHEMBL1723909
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Basic Information
| ChEMBL ID | CHEMBL1723909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUDMBDIWEXXQRP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
5.42
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 7.01 | 6.69 | 98.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 98.3 | nM | 7.01 | PUBCHEM_BIOASSAY: SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) us... | - |
| Kappa-type opioid receptor | EC50 | = | 423.0 | nM | 6.37 | PUBCHEM_BIOASSAY: SAR analysis of small molecule agonists of the kappa opioid re... | - |
Data from ChEMBL 36 via Core Engine