Compound Detail
CHEMBL3249418
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Basic Information
| ChEMBL ID | CHEMBL3249418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRZKCOVVXXSWSY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3302207 |
| Active Moiety | CHEMBL3302207 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
3.62
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 6.22 | 5.87 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 600.0 | nM | 6.22 | Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor ... | 209186 |
| Opioid receptor | IC50 | = | 3000.0 | nM | 5.52 | Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor ... | 209186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37335 | 10.1021/jm00191a016 | Mus musculus | 5 |
| 209186 | 10.1021/jm00205a003 | Opioid receptor | 4 |
| 209186 | 10.1021/jm00205a003 | Mus musculus | 4 |
Data from ChEMBL 36 via Core Engine