Compound Detail
CHEMBL318395
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
Basic Information
| ChEMBL ID | CHEMBL318395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDTMCHLPEWCDEO-VQCQRNETSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.52
ALogP
4
HBA
2
HBD
81.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Kd 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 4.88 | 4.88 | 13089.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Kd | = | 2.512 | nM | 8.6 | Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay | 9301674 |
| Delta-type opioid receptor | Ki | = | 5.74 | nM | 8.24 | Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE | 9301674 |
| Mu-type opioid receptor | Ki | = | 13089.0 | nM | 4.88 | Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO | 9301674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301674 | 10.1021/jm9607663 | Delta-type opioid receptor | 3 |
| 9301674 | 10.1021/jm9607663 | Mu-type opioid receptor | 3 |
| 9301674 | 10.1021/jm9607663 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine