Compound Detail
CHEMBL3249802
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Basic Information
| ChEMBL ID | CHEMBL3249802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRWZEJOGQLUAKS-YEGDFJHFSA-N |
| Parent Compound | CHEMBL3302799 |
| Active Moiety | CHEMBL3302799 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.57
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 19.0 | nM | 7.72 | Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor ... | 209186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 209186 | 10.1021/jm00205a003 | Opioid receptor | 2 |
| 209186 | 10.1021/jm00205a003 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine