Compound Detail
CHEMBL609147
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Basic Information
| ChEMBL ID | CHEMBL609147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GARXJOUQUSNOGK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
4.15
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 10.05 | 10.05 | 0.1 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.089 | nM | 10.05 | Binding affinity against Opioid receptor mu 1 | 10669565 |
| Delta-type opioid receptor | Ki | = | 23.0 | nM | 7.64 | Binding affinity against Opioid receptor delta 1 | 10669565 |
| Kappa-type opioid receptor | Ki | = | 63.0 | nM | 7.2 | Binding affinity against Opioid receptor kappa 1 | 10669565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669565 | 10.1021/jm9903702 | Mu-type opioid receptor | 1 |
| 10669565 | 10.1021/jm9903702 | Delta-type opioid receptor | 1 |
| 10669565 | 10.1021/jm9903702 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine