Compound Detail
CHEMBL331221
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 | CHEMBL331221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSTHIQFQEPJTJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.30
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 64.0 | nM | 7.19 | In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spipero... | 2869146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2869146 | 10.1021/jm00153a010 | D(2) dopamine receptor | 1 |
| 2869146 | 10.1021/jm00153a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine