Compound Detail
CHEMBL276042
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Basic Information
| ChEMBL ID | CHEMBL276042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJZQRNCUULBFRH-CYBMUJFWSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.43
ALogP
4
HBA
3
HBD
69.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.7
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Kd | 7.7 | 6.59 | 19.9 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 19.9 | nM | 7.7 | Compound was evaluated for the ability to displace [3H]spiperone at Dopamine rec... | 2524592 |
| D(2) dopamine receptor | Ki | = | 19.9 | nM | 7.7 | Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membran... | 18313931 |
| D(2) dopamine receptor | Kd | = | 3300.0 | nM | 5.48 | Compound was evaluated for the ability to displace [3H]spiperone at Dopamine rec... | 2524592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2524592 | 10.1021/jm00126a009 | D(2) dopamine receptor | 4 |
| 18313931 | 10.1016/j.bmc.2008.02.038 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine