Compound Detail
CHEMBL1480657
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Basic Information
| ChEMBL ID | CHEMBL1480657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKMUXDJRCIBCRA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.47
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 6.9 | 6.55 | 125.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 125.0 | nM | 6.9 | PUBCHEM_BIOASSAY: SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) us... | - |
| Kappa-type opioid receptor | EC50 | = | 220.0 | nM | 6.66 | PUBCHEM_BIOASSAY: uHTS identification of small molecule agonists of the kappa op... | - |
| Kappa-type opioid receptor | EC50 | = | 821.0 | nM | 6.09 | PUBCHEM_BIOASSAY: SAR analysis of small molecule agonists of the kappa opioid re... | - |
Data from ChEMBL 36 via Core Engine