Compound Detail
CHEMBL607263
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Basic Information
| ChEMBL ID | CHEMBL607263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJUNEVWBOUTAKR-ZCBCGHRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
4.55
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 6.08 | 6.08 | 825.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.95 | 5.95 | 1116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 825.0 | nM | 6.08 | Binding affinity for mu opioid receptor was evaluated by displacing [3H]- dipren... | 8390575 |
| Kappa-type opioid receptor | Ki | = | 1116.0 | nM | 5.95 | Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- dip... | 8390575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8390575 | 10.1021/jm00065a009 | Kappa-type opioid receptor | 1 |
| 8390575 | 10.1021/jm00065a009 | Mu-type opioid receptor | 1 |
| 8390575 | 10.1021/jm00065a009 | Opioid receptors; mu & kappa | 1 |
Data from ChEMBL 36 via Core Engine