Compound Detail
CHEMBL2369900
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CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2369900 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PERBXWINGHDXFD-WSKLTFMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
614.8
MW (Da)
-0.03
ALogP
8
HBA
7
HBD
205.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 16.0 | nM | 7.8 | Inhibition of contraction of electrically stimulated guinea pig ileum | 6252322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6252322 | 10.1021/jm00184a010 | Opioid receptor (mu and kappa) | 2 |
| 6252322 | 10.1021/jm00184a010 | Opioid receptor | 2 |
| 6252322 | 10.1021/jm00184a010 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine