Compound Detail
CHEMBL2178088
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(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2178088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFXSSGPCMCLJML-QZLCNWOESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
1.26
ALogP
6
HBA
6
HBD
176.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 5.67 | 5.67 | 2158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2158.0 | nM | 5.67 | Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes | 22957923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22957923 | 10.1021/jm300836n | Delta-type opioid receptor | 2 |
| 22957923 | 10.1021/jm300836n | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine