Compound Detail
CHEMBL2371340
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]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2371340 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LSQXZIUREIDSHZ-KEZOAJOQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
0.46
ALogP
6
HBA
4
HBD
159.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.25 | 6.25 | 557.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 5.32 | 5.32 | 4810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 557.0 | nM | 6.25 | In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (... | 8384662 |
| Delta-type opioid receptor | IC50 | = | 4810.0 | nM | 5.32 | In vitro inhibitory activity against delta opioid receptor using mouse vas defer... | 8384662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8384662 | 10.1021/jm00058a007 | Mu-type opioid receptor | 1 |
| 8384662 | 10.1021/jm00058a007 | Delta-type opioid receptor | 1 |
| 8384662 | 10.1021/jm00058a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine