Compound Detail
CHEMBL98197
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 | CHEMBL98197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMQYELRKBALQJF-JSGCOSHPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
2.65
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.07 | 6.07 | 854.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.52 | 5.52 | 3003.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 854.0 | nM | 6.07 | Tested for agonist binding affinity by measuring displacement of [3H]NPA from Hu... | 10956195 |
| D(3) dopamine receptor | Ki | = | 3003.0 | nM | 5.52 | Tested for antagonist binding affinity by measuring displacement of [3H]spiperon... | 10956195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956195 | 10.1021/jm0000113 | D(2) dopamine receptor | 2 |
| 10956195 | 10.1021/jm0000113 | D(3) dopamine receptor | 1 |
| 10956195 | 10.1021/jm0000113 | D(4) dopamine receptor | 1 |
| 10956195 | 10.1021/jm0000113 | 5-hydroxytryptamine receptor 1A | 1 |
| 10956195 | 10.1021/jm0000113 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine