Compound Detail
CHEMBL412921
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
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NCC=C
Basic Information
| ChEMBL ID | CHEMBL412921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCIZHLJXWBFITA-CUPIEXAXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
651.8
MW (Da)
2.83
ALogP
6
HBA
5
HBD
139.9
PSA (Ų)
0.14
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 5.98 | 5.98 | 1045.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 5.24 | 5.24 | 5755.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1045.0 | nM | 5.98 | Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome | 17142049 |
| Delta-type opioid receptor | Ki | = | 5755.0 | nM | 5.24 | Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 syna... | 17142049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17142049 | 10.1016/j.bmc.2006.11.019 | Mu-type opioid receptor | 2 |
| 17142049 | 10.1016/j.bmc.2006.11.019 | Delta-type opioid receptor | 2 |
| 17142049 | 10.1016/j.bmc.2006.11.019 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine