Compound Detail
CHEMBL408422
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Basic Information
| ChEMBL ID | CHEMBL408422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYNZTGLNKBWNHM-SCGCMHLBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.53
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.52 | 6.52 | 305.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.51 | 5.51 | 3090.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.34 | 5.34 | 4520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 305.0 | nM | 6.52 | Displacement of [3H]diprenorphine from recombinant mu opioid receptor expressed ... | 18311899 |
| Kappa-type opioid receptor | Ki | = | 3090.0 | nM | 5.51 | Displacement of [3H]diprenorphine from recombinant kappa opioid receptor express... | 18311899 |
| Delta-type opioid receptor | Ki | = | 4520.0 | nM | 5.34 | Displacement of [3H]diprenorphine from recombinant delta opioid receptor express... | 18311899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311899 | 10.1021/jm701457j | Unchecked | 2 |
| 18311899 | 10.1021/jm701457j | Kappa-type opioid receptor | 1 |
| 18311899 | 10.1021/jm701457j | Delta-type opioid receptor | 1 |
| 18311899 | 10.1021/jm701457j | Mu-type opioid receptor | 1 |
| 18311899 | 10.1021/jm701457j | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine