Compound Detail
CHEMBL572524
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]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL572524 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LTJZIZWLFNNFEZ-QEUNAIBPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
728.9
MW (Da)
1.72
ALogP
9
HBA
7
HBD
205.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.14 | 9.14 | 0.7 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.84 | 6.84 | 145.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.72 | nM | 9.14 | Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C... | 19788201 |
| Delta-type opioid receptor | Ki | = | 55.0 | nM | 7.26 | Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in ra... | 19788201 |
| Kappa-type opioid receptor | Ki | = | 145.0 | nM | 6.84 | Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in ... | 19788201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788201 | 10.1021/jm9007483 | Kappa-type opioid receptor | 3 |
| 19788201 | 10.1021/jm9007483 | Delta-type opioid receptor | 3 |
| 19788201 | 10.1021/jm9007483 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine