Compound Detail
CHEMBL286206
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Basic Information
| ChEMBL ID | CHEMBL286206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRQRSLGLDVKMDN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1183233 |
| Active Moiety | CHEMBL1183233 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.18
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 6.54 | 5.815 | 287.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 287.0 | nM | 6.54 | Compound was tested for its ability to displace [3H]naloxone from Opioid recepto... | 6273560 |
| Opioid receptor | IC50 | = | 8184.0 | nM | 5.09 | Compound was tested for its ability to displace [3H]naloxone from Opioid recepto... | 6273560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6273560 | 10.1021/jm00143a007 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine