Compound Detail
CHEMBL289330
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 | CHEMBL289330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAECXZXKVURFMR-LBPRGKRZSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
2.68
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.74
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.74 | 9.8533 | 0.0 | 3 |
| D(3) dopamine receptor CHEMBL234 | Ki | 9.66 | 9.66 | 0.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.018 | nM | 10.74 | Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2 | 1672158 |
| D(2) dopamine receptor | Ki | = | 0.2 | nM | 9.7 | Compound was evaluated for binding affinity towards dopamine receptor D2 in stri... | 1827843 |
| D(3) dopamine receptor | Ki | = | 0.22 | nM | 9.66 | Binding affinity to dopamine D3 receptor | 18534857 |
| D(2) dopamine receptor | Ki | = | 0.76 | nM | 9.12 | Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes ... | 1827843 |
| D(2) dopamine receptor | IC50 | = | 1.2 | nM | 8.92 | The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]... | 1973734 |
| D(2) dopamine receptor | IC50 | = | 1.2 | nM | 8.92 | 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 | 4 |
| 1827843 | 10.1021/jm00109a013 | D(2) dopamine receptor | 2 |
| 1973734 | 10.1021/jm00170a040 | Rattus norvegicus | 2 |
| 1672158 | 10.1021/jm00107a012 | D(2) dopamine receptor | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 1973734 | 10.1021/jm00170a040 | D(2) dopamine receptor | 1 |
| 18534857 | 10.1016/j.bmc.2008.05.039 | D(3) dopamine receptor | 1 |
| 18534857 | 10.1016/j.bmc.2008.05.039 | D(2) dopamine receptor | 1 |
| 18534857 | 10.1016/j.bmc.2008.05.039 | Unchecked | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine