Compound Detail
CHEMBL404792
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
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL404792 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DHDRBUQCZPZXNW-IJPMLFLGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1853.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Nociceptin receptor CHEMBL2014 | IC50 | 7.94 | 7.94 | 11.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 0.15 | nM | 9.82 | Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate | 16814543 |
| Nociceptin receptor | IC50 | = | 11.6 | nM | 7.94 | Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells | 16814543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16814543 | 10.1016/j.bmcl.2006.06.060 | Mu-type opioid receptor | 1 |
| 16814543 | 10.1016/j.bmcl.2006.06.060 | Nociceptin receptor | 1 |
Data from ChEMBL 36 via Core Engine