Compound Detail
CHEMBL192099
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Basic Information
| ChEMBL ID | CHEMBL192099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZWIBVNDYKVOQZ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.80
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 7.9 | nM | 8.1 | Binding affinity for human Alpha-1D adrenergic receptor | 15828846 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 55.0 | nM | 7.26 | Binding affinity for human 5-hydroxytryptamine 1A receptor | 15828846 |
| D(3) dopamine receptor | Ki | = | 160.0 | nM | 6.8 | Binding affinity for rat Dopamine receptor D3 | 15828846 |
| Alpha-1B adrenergic receptor | Ki | = | 1400.0 | nM | 5.85 | Binding affinity for human Alpha-1B adrenergic receptor | 15828846 |
| D(2) dopamine receptor | Ki | = | 2200.0 | nM | 5.66 | Binding affinity for human Dopamine receptor D2 | 15828846 |
| Alpha-1A adrenergic receptor | Ki | = | 4100.0 | nM | 5.39 | Binding affinity for human Alpha-1A adrenergic receptor | 15828846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828846 | 10.1021/jm0491391 | Alpha-1D adrenergic receptor | 1 |
| 15828846 | 10.1021/jm0491391 | Alpha-1B adrenergic receptor | 1 |
| 15828846 | 10.1021/jm0491391 | Alpha-1A adrenergic receptor | 1 |
| 15828846 | 10.1021/jm0491391 | 5-hydroxytryptamine receptor 1A | 1 |
| 15828846 | 10.1021/jm0491391 | D(2) dopamine receptor | 1 |
| 15828846 | 10.1021/jm0491391 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine