Compound Detail
CHEMBL6055562
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 | CHEMBL6055562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDBYXSKOJNEYQG-DHIUTWEWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.78
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.66
EC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.21 | 8.21 | 6.1 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.66 | 4.66 | 21900.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 6.1 | nM | 8.21 | Detection of MOR cAMP Agonist Activity: The experiment was performed using a cAM... | - |
| Cytochrome P450 3A4 | IC50 | = | 21900.0 | nM | 4.66 | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the... | - |
| Cytochrome P450 2D6 | IC50 | = | 23400.0 | nM | 4.63 | Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the... | - |
Data from ChEMBL 36 via Core Engine