Compound Detail
CHEMBL424327
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
Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCCN1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3
Basic Information
| ChEMBL ID | CHEMBL424327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNJOCKWLEAAKCR-QTIGFWLISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
526.8
MW (Da)
6.30
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.49
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 24.0 | nM | 7.62 | Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CH... | 14613319 |
| Mu-type opioid receptor | Ki | = | 48.0 | nM | 7.32 | Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) ... | 14613319 |
| Delta-type opioid receptor | Ki | = | 600.0 | nM | 6.22 | Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CH... | 14613319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613319 | 10.1021/jm030139v | Mu-type opioid receptor | 1 |
| 14613319 | 10.1021/jm030139v | Delta-type opioid receptor | 1 |
| 14613319 | 10.1021/jm030139v | Kappa-type opioid receptor | 1 |
| 14613319 | 10.1021/jm030139v | Opioid receptors; mu & kappa | 1 |
| 14613319 | 10.1021/jm030139v | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine