Compound Detail
CHEMBL3966641
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 | CHEMBL3966641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPOHRPISGJWNOS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.63
ALogP
2
HBA
2
HBD
31.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.6 | nM | 9.22 | Binding Assay: The receptor affinity for the human mu-opiate receptor was determ... | - |
| Opioid growth factor receptor-like protein 1 | Ki | = | 1.1 | nM | 8.96 | Binding Assay: The cyclohexane derivatives of the general formula I were investi... | - |
Data from ChEMBL 36 via Core Engine