Compound Detail
CHEMBL161021
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Basic Information
| ChEMBL ID | CHEMBL161021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMWHTDGHXSPIKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.16
ALogP
5
HBA
0
HBD
58.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.81 | 7.81 | 15.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 15.6 | nM | 7.81 | Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain... | 2563773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2563773 | 10.1021/jm00123a028 | Oryctolagus cuniculus | 4 |
| 2563773 | 10.1021/jm00123a028 | Mus musculus | 3 |
| 2563773 | 10.1021/jm00123a028 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine