Compound Detail
CHEMBL164330
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Basic Information
| ChEMBL ID | CHEMBL164330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLQBZMDETHZBJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
3.40
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.0 | nM | 7.92 | Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A... | - |
| Adrenergic receptor alpha-1 | Ki | = | 200.0 | nM | 6.7 | Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00074-7 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | 5-hydroxytryptamine receptor 1B | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | 5-hydroxytryptamine receptor 1D | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | Serotonin 2 (5-HT2) receptor | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | Serotonin 3 (5-HT3) receptor | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine