Compound Detail
CHEMBL276326
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Basic Information
| ChEMBL ID | CHEMBL276326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SETZXJXEHHDPBP-CYBMUJFWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.2
MW (Da)
3.61
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.75
Kd 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Kd | 8.17 | 7.155 | 6.8 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.75 | 7.75 | 17.7 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 6.75 | nM | 8.17 | Compound was evaluated for the ability to displace [3H]spiperone at Dopamine rec... | 2524592 |
| D(2) dopamine receptor | Ki | = | 17.7 | nM | 7.75 | Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radio... | 1971309 |
| D(2) dopamine receptor | Ki | = | 17.7 | nM | 7.75 | Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membran... | 18313931 |
| D(1A) dopamine receptor | Ki | = | 106.0 | nM | 6.97 | Binding affinity at rat striatal Dopamine receptor D1 using [3H]- SCH-23390 radi... | 1971309 |
| D(2) dopamine receptor | Kd | = | 728.0 | nM | 6.14 | 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 |
| 1971309 | 10.1021/jm00168a040 | D(1A) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | D(2) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | Dopamine receptors; D1 & D2 | 1 |
| 18313931 | 10.1016/j.bmc.2008.02.038 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine