Compound Detail
CHEMBL42448
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 | CHEMBL42448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUVDIPGTXCBTQZ-AWEZNQCLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.53
ALogP
5
HBA
2
HBD
71.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.6 | 9.35 | 0.2 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.96 | 7.96 | 11.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.25 | nM | 9.6 | Compound was evaluated for binding affinity towards dopamine receptor D2 in stri... | 1827843 |
| D(2) dopamine receptor | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes ... | 1827843 |
| Adrenergic receptor alpha-2 | Ki | = | 11.1 | nM | 7.96 | binding affinity towards alpha-2 adrenergic receptor, using [3H]- atipamezole as... | 1827843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1827843 | 10.1021/jm00109a013 | D(2) dopamine receptor | 2 |
| 1827843 | 10.1021/jm00109a013 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine