Compound Detail
CHEMBL435949
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Basic Information
| ChEMBL ID | CHEMBL435949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDBBDQXTEVOOKW-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.89
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.99 | 6.99 | 102.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.39 | 6.39 | 405.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.36 | 6.36 | 438.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.17 | 6.17 | 668.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.64 | 5.64 | 2311.6 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.13 | 5.13 | 7385.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1.4 | nM | 8.85 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 102.8 | nM | 6.99 | In vitro binding affinity to human 5-hydroxytryptamine 7 receptor | 11378358 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 405.6 | nM | 6.39 | In vitro binding affinity to human 5-hydroxytryptamine 1A receptor | 11378358 |
| D(2) dopamine receptor | Ki | = | 438.0 | nM | 6.36 | In vitro binding affinity to rat Dopamine receptor D2 measured by displacement o... | 11378358 |
| D(3) dopamine receptor | Ki | = | 668.0 | nM | 6.17 | In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displac... | 11378358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2311.6 | nM | 5.64 | Binding affinity to cloned human 5-hydroxytryptamine 2A receptor | 11378358 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 7385.0 | nM | 5.13 | In vitro binding affinity to human 5-hydroxytryptamine 6 receptor | 11378358 |
Literature References
Data from ChEMBL 36 via Core Engine