Compound Detail
CHEMBL2370993
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
CC(=O)C(N)CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJVQGNOIGJLQBN-USFOTKPRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
657.8
MW (Da)
1.60
ALogP
8
HBA
6
HBD
205.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 7.67 | 7.67 | 21.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 21.6 | nM | 7.67 | Affinity towards human Opioid receptor delta 1 on CHO cell membranes using [3H]D... | 11150177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150177 | 10.1021/jm000362h | Delta-type opioid receptor | 1 |
| 11150177 | 10.1021/jm000362h | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine