Compound Detail
CHEMBL1713635
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Basic Information
| ChEMBL ID | CHEMBL1713635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQKFKBJKMBJTBQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
3.81
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.09 | 5.835 | 806.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 806.0 | nM | 6.09 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR)... | - |
| Kappa-type opioid receptor | IC50 | = | 2630.0 | nM | 5.58 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid... | - |
| Mu-type opioid receptor | IC50 | = | 9600.0 | nM | 5.02 | PUBCHEM_BIOASSAY: SAR Analysis of Antagonists of the MOR Receptor using an Image... | - |
Data from ChEMBL 36 via Core Engine