Compound Detail
CHEMBL550792
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 | CHEMBL550792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUBBPURRDHRXFJ-ZMBIFBSDSA-N |
| Parent Compound | CHEMBL1194307 |
| Active Moiety | CHEMBL1194307 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
5.30
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.72
EC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.72 | 6.72 | 192.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | EC50 | 6.24 | 6.24 | 577.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.17 | 6.17 | 669.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 192.0 | nM | 6.72 | Displacement of [3H]raclopride from rat dopamine D2short receptor expressed in C... | 19454369 |
| D(2) dopamine receptor | EC50 | = | 577.0 | nM | 6.24 | Agonist activity at rat dopamine D2short receptor expressed in CHO-K1 cells asse... | 19454369 |
| D(1A) dopamine receptor | Ki | = | 669.0 | nM | 6.17 | Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in Ltk deficien... | 19454369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19454369 | 10.1016/j.bmc.2009.04.047 | D(2) dopamine receptor | 3 |
| 19454369 | 10.1016/j.bmc.2009.04.047 | D(1A) dopamine receptor | 1 |
| 19454369 | 10.1016/j.bmc.2009.04.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine