Compound Detail
CHEMBL175226
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Basic Information
| ChEMBL ID | CHEMBL175226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHDOWCJMWQLFRW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
377.9
MW (Da)
3.74
ALogP
5
HBA
0
HBD
20.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.5 | 6.5 | 316.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.39 | 6.39 | 405.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.84 | 5.84 | 1430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 316.0 | nM | 6.5 | In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes usi... | 14695828 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 405.0 | nM | 6.39 | In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue ... | 14695828 |
| D(2) dopamine receptor | Ki | = | 1430.0 | nM | 5.84 | In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate ... | 14695828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695828 | 10.1021/jm0309811 | 5-hydroxytryptamine receptor 2A | 1 |
| 14695828 | 10.1021/jm0309811 | D(1A) dopamine receptor | 1 |
| 14695828 | 10.1021/jm0309811 | D(2) dopamine receptor | 1 |
| 14695828 | 10.1021/jm0309811 | D(3) dopamine receptor | 1 |
| 14695828 | 10.1021/jm0309811 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
| 14695828 | 10.1021/jm0309811 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine