Compound Detail
CHEMBL2371360
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C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2371360 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PAVMQNDNZSJTHU-KEIZBESESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
0.31
ALogP
6
HBA
4
HBD
159.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.51 | 7.51 | 30.6 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 30.6 | nM | 7.51 | In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (... | 8384662 |
| Delta-type opioid receptor | IC50 | = | 202.0 | nM | 6.7 | 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