Compound Detail
CHEMBL95248
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Basic Information
| ChEMBL ID | CHEMBL95248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPFQTJINQTUEHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.89
ALogP
4
HBA
0
HBD
45.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.78 | nM | 9.11 | Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the... | 2170652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2170652 | 10.1021/jm00172a032 | Mus musculus | 5 |
| 2170652 | 10.1021/jm00172a032 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine