Compound Detail
CHEMBL89420
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Basic Information
| ChEMBL ID | CHEMBL89420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQWCSGWUJUEAQM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.73
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.01 | 7.45 | 9.8 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.29 | 7.29 | 51.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.17 | 7.17 | 67.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.07 | 7.07 | 85.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 9.8 | nM | 8.01 | Inhibition of [3H]quinpirole binding to rat striatal membrane Dopamine receptor ... | 10498215 |
| D(4) dopamine receptor | Ki | = | 51.6 | nM | 7.29 | Inhibition of [3H]spiperone binding to human Dopamine receptor D4.4 expressed in... | 10498215 |
| D(3) dopamine receptor | Ki | = | 67.2 | nM | 7.17 | Inhibition of [3H]spiperone binding to human Dopamine receptor D3 in CHO cell me... | 10498215 |
| D(2) dopamine receptor | Ki | = | 85.6 | nM | 7.07 | Inhibition of [3H]spiperone binding to human Dopamine receptor D2 in CHO cell me... | 10498215 |
| D(2) dopamine receptor | Ki | = | 128.0 | nM | 6.89 | Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D... | 10498215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(2) dopamine receptor | 4 |
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(3) dopamine receptor | 1 |
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(4) dopamine receptor | 1 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine