Compound Detail
CHEMBL441092
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 | CHEMBL441092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUBNLLGXUCCYFZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.21
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.46 | 6.46 | 343.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.83 | 5.83 | 1492.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 343.0 | nM | 6.46 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(2) dopamine receptor | Ki | = | 1492.0 | nM | 5.83 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| Phenylethanolamine N-methyltransferase | Ki | = | 21000.0 | nM | 4.68 | In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transfer... | 2913308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863800 | 10.1021/jm960345l | D(2) dopamine receptor | 2 |
| 2913308 | 10.1021/jm00122a032 | Phenylethanolamine N-methyltransferase | 1 |
| 8863800 | 10.1021/jm960345l | D(3) dopamine receptor | 1 |
| 8863800 | 10.1021/jm960345l | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine