Compound Detail
CHEMBL147440
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Basic Information
| ChEMBL ID | CHEMBL147440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKOJWPSHQQXTMQ-AWQFTUOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.63
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 19.0 | nM | 7.72 | Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using... | 8960552 |
| D(2) dopamine receptor | IC50 | = | 100.0 | nM | 7.0 | Binding affinity towards rat Dopamine receptor D2 was evaluated using [3H]- spir... | 8960552 |
| Adrenergic receptor alpha-1 | IC50 | = | 120.0 | nM | 6.92 | Binding affinity towards rat Alpha-1 adrenergic receptor was evaluated using [3H... | 8960552 |
| Adrenergic receptor alpha-2 | IC50 | = | 290.0 | nM | 6.54 | Binding affinity towards rat Alpha-2 adrenergic receptor was evaluated using [3H... | 8960552 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 580.0 | nM | 6.24 | Binding affinity towards rat 5-hydroxytryptamine 2A receptor was evaluated using... | 8960552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960552 | 10.1021/jm9604538 | Unchecked | 3 |
| 8960552 | 10.1021/jm9604538 | Adrenergic receptor alpha-1 | 2 |
| 8960552 | 10.1021/jm9604538 | 5-hydroxytryptamine receptor 1A | 1 |
| 8960552 | 10.1021/jm9604538 | 5-hydroxytryptamine receptor 2A | 1 |
| 8960552 | 10.1021/jm9604538 | D(2) dopamine receptor | 1 |
| 8960552 | 10.1021/jm9604538 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine