Compound Detail
CHEMBL28198
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 | CHEMBL28198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMYHGORQCPYVBZ-NLFFAJNJSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.93
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.85
IC50 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| Opioid receptor CHEMBL2094129 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.14 | nM | 9.85 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Opioid receptor | IC50 | = | 0.25 | nM | 9.6 | Displacement of [3H]nalotrexone from rat-brain Opioid receptors | 6288945 |
| Kappa-type opioid receptor | Ki | = | 5.5 | nM | 8.26 | Competitive binding displacement analyses was performed from permanently transfe... | 10753470 |
| Nociceptin receptor | Ki | = | 24.0 | nM | 7.62 | Competitive binding affinity against transfected HEK293 cells expressing Opioid ... | 10753470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2878076 | 10.1021/jm00161a027 | No relevant target | 2 |
| 6288945 | 10.1021/jm00350a006 | Opioid receptor | 1 |
| 2878076 | 10.1021/jm00161a027 | ADMET | 1 |
| 10753470 | 10.1021/jm991129q | Nociceptin receptor | 1 |
| 10753470 | 10.1021/jm991129q | Mu-type opioid receptor | 1 |
| 10753470 | 10.1021/jm991129q | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine