Compound Detail
CHEMBL147569
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 | CHEMBL147569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVEBDJNZNHXLME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.8
MW (Da)
5.32
ALogP
3
HBA
3
HBD
85.5
PSA (Ų)
0.15
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2095205 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.32 | 6.32 | 477.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | Ki | = | 6.5 | nM | 8.19 | Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain | 14698188 |
| Mu-type opioid receptor | Ki | = | 477.0 | nM | 6.32 | Displacement of [3H]DAMGO (2 nM ) from opioid receptor mu 1 in human brain | 14698188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698188 | 10.1016/j.bmcl.2003.10.048 | Monoamine oxidase | 1 |
| 14698188 | 10.1016/j.bmcl.2003.10.048 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine