Compound Detail
CHEMBL198303
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 | CHEMBL198303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBNAEPBSIPQZEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.11
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 17000.0 | nM | 4.77 | Binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ... | 16134944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134944 | 10.1021/jm0503805 | D(2) dopamine receptor | 2 |
| 16134944 | 10.1021/jm0503805 | D(1A) dopamine receptor | 1 |
| 16134944 | 10.1021/jm0503805 | D(3) dopamine receptor | 1 |
| 16134944 | 10.1021/jm0503805 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine