Compound Detail
CHEMBL1161991
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NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1161991 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ORMXNEGLUNGZJQ-QORCZRPOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
0.08
ALogP
7
HBA
6
HBD
193.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.39 | 6.39 | 408.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 408.0 | nM | 6.39 | Displacement of [3H]DAGO from mu opioid receptor in rat brain membrane | 17395470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17395470 | 10.1016/j.bmc.2007.03.009 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine