Compound Detail
CHEMBL68342
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Basic Information
| ChEMBL ID | CHEMBL68342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEXPGTSLRDTLMA-UOFJDMSKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.05
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.70
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 8.65 | 8.65 | 2.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.98 | 7.98 | 10.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 2.24 | nM | 8.65 | In vitro binding affinity towards opioid receptor delta 1 | 15080990 |
| Mu-type opioid receptor | Ki | = | 10.52 | nM | 7.98 | In vitro binding affinity towards opioid receptor mu 1 | 15080990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15080990 | 10.1016/j.bmcl.2004.02.052 | Delta-type opioid receptor | 1 |
| 15080990 | 10.1016/j.bmcl.2004.02.052 | Mu-type opioid receptor | 1 |
| 15080990 | 10.1016/j.bmcl.2004.02.052 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine