Compound Detail
CHEMBL22857
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Basic Information
| ChEMBL ID | CHEMBL22857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBOHWJBYXZNLJD-ZDUSSCGKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
1.34
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.29 | 7.29 | 51.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 51.0 | nM | 7.29 | Compound was evaluated for its ability to displace [3H]spiperone from D2 dopamin... | - |
| D(2) dopamine receptor | Ki | = | 51.0 | nM | 7.29 | Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligan... | 1825115 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1200.0 | nM | 5.92 | Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonerg... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00197-2 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00197-2 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(95)00197-2 | Serotonin 2 (5-HT2) receptor | 1 |
| 1825115 | 10.1021/jm00105a041 | D(2) dopamine receptor | 1 |
| 1825115 | 10.1021/jm00105a041 | Mus musculus | 1 |
| 1825115 | 10.1021/jm00105a041 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine