Compound Detail
CHEMBL146183
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(N=C=S)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL146183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOWORNRQRWYCPX-GSSGUZCNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
691.8
MW (Da)
3.49
ALogP
8
HBA
5
HBD
174.4
PSA (Ų)
0.10
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.91 | 7.91 | 12.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 12.4 | nM | 7.91 | Binding assay evaluated using DPPE radioligand in CHO cells transfected with mou... | 11150176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150176 | 10.1021/jm000345s | Delta-type opioid receptor | 1 |
| 11150176 | 10.1021/jm000345s | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine