Compound Detail
CHEMBL610906
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC[N+]1(C)CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3[C@H]1C5.[I-]
Basic Information
| ChEMBL ID | CHEMBL610906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTUKJOKNENSIOB-JWHCZHIVSA-N |
| Parent Compound | CHEMBL1198671 |
| Active Moiety | CHEMBL1198671 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.90
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2095192 | IC50 | 6.36 | 5.665 | 440.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 440.0 | nM | 6.36 | Concentration required to inhibit the stereospecific [3H]diprenorphine binding O... | 6292421 |
| Opioid receptor | IC50 | = | 510.0 | nM | 6.29 | Concentration required to inhibit the stereospecific [3H]diprenorphine binding O... | 6292421 |
| Opioid receptor | IC50 | = | 8500.0 | nM | 5.07 | Concentration required to inhibit the stereospecific [3H]diprenorphine binding O... | 6292421 |
| Opioid receptor | IC50 | = | 11500.0 | nM | 4.94 | Concentration required to inhibit the stereospecific [3H]diprenorphine binding O... | 6292421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6292421 | 10.1021/jm00353a002 | Opioid receptor | 8 |
Data from ChEMBL 36 via Core Engine