Compound Detail
CHEMBL5272965
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 | CHEMBL5272965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXVWRWOFYFBNKU-OZBJMMHXSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
3.13
ALogP
4
HBA
2
HBD
73.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.21
Ki 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.57 | 7.57 | 26.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.21 | 6.645 | 61.7 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.86 | 6.86 | 139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 26.9 | nM | 7.57 | Partial agonist activity at human D2 receptor assessed as inhibition constant | 34110150 |
| D(2) dopamine receptor | EC50 | = | 61.7 | nM | 7.21 | Partial agonist activity at human D2 receptor assessed as increase in cAMP accum... | 34110150 |
| D(3) dopamine receptor | Ki | = | 139.0 | nM | 6.86 | Partial agonist activity at human D3 receptor assessed as inhibition constant | 34110150 |
| D(2) dopamine receptor | EC50 | = | 839.5 | nM | 6.08 | 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