Compound Detail
CHEMBL2096749
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 | CHEMBL2096749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBIMLBIDRSPVIF-OAHLLOKOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
3.56
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.75 | 6.66 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.8 | nM | 9.1 | Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2 | 1672158 |
| D(2) dopamine receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was det... | 1672158 |
| D(2) dopamine receptor | IC50 | = | 2680.0 | nM | 5.57 | Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was det... | 1672158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1672158 | 10.1021/jm00107a012 | Rattus norvegicus | 8 |
| 1672158 | 10.1021/jm00107a012 | D(2) dopamine receptor | 4 |
Data from ChEMBL 36 via Core Engine