Compound Detail
CHEMBL5289063
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 | CHEMBL5289063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGAXRFLOVCZZNS-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.25
ALogP
7
HBA
2
HBD
86.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.05
Ki 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.05 | 6.825 | 90.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.4 | nM | 8.47 | Partial agonist activity at human D3 receptor assessed as inhibition constant | 34110150 |
| D(2) dopamine receptor | EC50 | = | 90.0 | nM | 7.05 | Partial agonist activity at human D2 receptor assessed as increase in cAMP accum... | 34110150 |
| D(4) dopamine receptor | Ki | = | 190.0 | nM | 6.72 | Partial agonist activity at human D4 receptor assessed as inhibition constant | 34110150 |
| D(2) dopamine receptor | EC50 | = | 250.0 | nM | 6.6 | Partial agonist activity at human D2 receptor assessed as beta arrestin-2 recrui... | 34110150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34110150 | 10.1021/acs.jmedchem.1c00704 | D(2) dopamine receptor | 5 |
| 34110150 | 10.1021/acs.jmedchem.1c00704 | D(3) dopamine receptor | 1 |
| 34110150 | 10.1021/acs.jmedchem.1c00704 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine