Compound Detail
CHEMBL132743
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CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)N(N)C(=O)CNC(=O)CN(N)C(=O)[C@H](Cc1ccc(ON)cc1)NN)C(=O)N[C@H](C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL132743 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | USSSFJLCBNNKOE-MGDCHWCSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
731.9
MW (Da)
-2.69
ALogP
13
HBA
9
HBD
296.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 107.0 | nM | 6.97 | Concentration required for 50% inhibition of [3H]DAGO binding to mu opioid recep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80222-5 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine