Compound Detail
CHEMBL142681
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL142681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAGZZNDAPGZOFB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.27
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 610.0 | nM | 6.21 | Binding affinity was measured against Opioid receptor delta 1 using [3H]p-Cl-DPD... | 9822547 |
| Mu-type opioid receptor | IC50 | = | 780.0 | nM | 6.11 | Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as r... | 9822547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822547 | 10.1021/jm980374r | Mu-type opioid receptor | 1 |
| 9822547 | 10.1021/jm980374r | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine