Compound Detail
CHEMBL423632
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Basic Information
| ChEMBL ID | CHEMBL423632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPBYZZHKBHRMCG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.35
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.43 | 6.43 | 374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.0 | nM | 7.89 | Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A... | - |
| Adrenergic receptor alpha-1 | Ki | = | 36.0 | nM | 7.44 | Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic rec... | - |
| D(2) dopamine receptor | Ki | = | 374.0 | nM | 6.43 | Compound was measured in vivo for its binding affinity at Dopamine receptor D2 u... | - |
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