Compound Detail
CHEMBL2369920
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CCOC(=O)CC[C@H](N)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2369920 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CNQQUIJRGLNCNS-BVOGOJNSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
563.6
MW (Da)
-0.38
ALogP
8
HBA
6
HBD
206.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 5.13 | 5.13 | 7330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 7330.0 | nM | 5.13 | 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