Compound Detail
CHEMBL3325719
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
Basic Information
| ChEMBL ID | CHEMBL3325719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXTSGGCTZUXABK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
5.21
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.43
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 370.0 | nM | 6.43 | Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing... | 25087049 |
| Mu-type opioid receptor | Ki | = | 1300.0 | nM | 5.89 | Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells... | 25087049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25087049 | 10.1016/j.bmc.2014.07.012 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine