Compound Detail
CHEMBL420115
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 | CHEMBL420115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQEQNVRDAVMDJB-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
4.11
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 17.1 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 1020.0 | nM | 5.99 | Binding affinity against opioid receptor kappa, in guinea pig brain membrane, us... | 1659636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1659636 | 10.1021/jm00115a001 | Kappa-type opioid receptor | 3 |
| 1659636 | 10.1021/jm00115a001 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine