Compound Detail
CHEMBL440699
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Basic Information
| ChEMBL ID | CHEMBL440699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXKFCUKSHJHCAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
4.29
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2095192 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 20000.0 | nM | 4.7 | Tested for displacement of radioligand [3H]-Naloxone from opiate receptor | 8410989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433169 | 10.1021/jm00098a001 | Mus musculus | 4 |
| 8410989 | 10.1021/jm00071a006 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine