Compound Detail
CHEMBL171118
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Basic Information
| ChEMBL ID | CHEMBL171118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXWBPTAZQDKQKI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.64
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | Ki | 6.82 | 6.26 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | Ki | = | 150.0 | nM | 6.82 | Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane i... | 6268789 |
| Opioid receptor | Ki | = | 2000.0 | nM | 5.7 | Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid re... | 6268789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6268789 | 10.1021/jm00139a030 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine