Compound Detail
CHEMBL558817
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Basic Information
| ChEMBL ID | CHEMBL558817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTQIRCMUICTQJX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL321682 |
| Active Moiety | CHEMBL321682 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.62
ALogP
4
HBA
0
HBD
37.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.76 | 6.76 | 173.8 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 11.22 | nM | 7.95 | In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A ... | 10425088 |
| D(2) dopamine receptor | Ki | = | 173.78 | nM | 6.76 | In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in ... | 10425088 |
| D(1A) dopamine receptor | Ki | = | 562.34 | nM | 6.25 | In vitro ability to displace [3H]SCH-23390 binding from Dopamine 1 (D1) receptor... | 10425088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425088 | 10.1021/jm981094e | Mus musculus | 2 |
| 10425088 | 10.1021/jm981094e | D(1A) dopamine receptor | 1 |
| 10425088 | 10.1021/jm981094e | D(2) dopamine receptor | 1 |
| 10425088 | 10.1021/jm981094e | 5-hydroxytryptamine receptor 2A | 1 |
| 10425088 | 10.1021/jm981094e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine