Compound Detail
CHEMBL242974
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
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL242974 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KCGODYAXCDMYMU-LJWNLINESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
0.90
ALogP
7
HBA
6
HBD
188.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | IC50 | 5.24 | 5.24 | 5720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 1100.0 | nM | 5.96 | Displacement of [3H]DAGO from mu opioid receptor in rat brain membrane | 17395470 |
| Delta-type opioid receptor | IC50 | = | 5720.0 | nM | 5.24 | Displacement of [3H]deltorphin2 from delta opioid receptor in rat brain membrane | 17395470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17395470 | 10.1016/j.bmc.2007.03.009 | Mu-type opioid receptor | 1 |
| 17395470 | 10.1016/j.bmc.2007.03.009 | Delta-type opioid receptor | 1 |
| 17395470 | 10.1016/j.bmc.2007.03.009 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine