Compound Detail
CHEMBL61440
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Basic Information
| ChEMBL ID | CHEMBL61440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBLUNKVNKSMVMO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
5.00
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1.7 | nM | 8.77 | Binding affinity against Alpha-1 adrenergic receptor from rat cerebral cortex | 9622541 |
| Adrenergic receptor alpha-1 | Ki | = | 1.7 | nM | 8.77 | Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic rec... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.4 | nM | 8.47 | Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A r... | 9622541 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.4 | nM | 8.47 | Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622541 | 10.1021/jm970164z | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(97)00074-7 | D(3) dopamine receptor | 2 |
| 9622541 | 10.1021/jm970164z | D(2) dopamine receptor | 1 |
| 9622541 | 10.1021/jm970164z | 5-hydroxytryptamine receptor 1A | 1 |
| 9622541 | 10.1021/jm970164z | Adrenergic receptor alpha-1 | 1 |
| - | 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 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine