Compound Detail
CHEMBL4111224
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
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1C)[C@H]2O5
Basic Information
| ChEMBL ID | CHEMBL4111224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAHOTOBTELSIEH-VTPACTEHSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.7
MW (Da)
4.03
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.4
Ki 4 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.4 | 8.4 | 3.9 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.74 | 7.74 | 18.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.65 | 7.65 | 22.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.49 | 7.49 | 32.2 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | Ki | 6.48 | 6.48 | 332.9 | 1 |
| Opioid growth factor receptor-like protein 1 CHEMBL3638334 | EC50 | 5.39 | 5.39 | 4103.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine