Compound Detail
CHEMBL2371361
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C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2371361 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FXLMJAFFLZEZHN-IRNNPGBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
-0.03
ALogP
6
HBA
5
HBD
167.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 26900.0 | nM | 4.57 | In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (... | 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 |
Data from ChEMBL 36 via Core Engine