Compound Detail
CHEMBL81328
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Basic Information
| ChEMBL ID | CHEMBL81328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJNIRYXPIANNDH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
4.62
ALogP
5
HBA
0
HBD
98.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 8.0 | nM | 8.1 | Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1 | 2167979 |
| Opioid receptor | Ki | = | 8.0 | nM | 8.1 | Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(... | 2167979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167979 | 10.1021/jm00171a020 | Mu-type opioid receptor | 4 |
| 2167979 | 10.1021/jm00171a020 | Delta-type opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | Kappa-type opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | Opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine