Compound Detail
CHEMBL6789
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Basic Information
| ChEMBL ID | CHEMBL6789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHHCTUBWMPZDGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.75
ALogP
7
HBA
2
HBD
102.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.27 | 7.27 | 53.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1.4 | nM | 8.85 | In vitro binding affinity determined for alpha-1 adrenergic receptor by the disp... | 2884316 |
| Adrenergic receptor alpha-2 | Ki | = | 53.9 | nM | 7.27 | In vitro binding affinity determined for alpha-2 adrenergic receptor by the perc... | 2884316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha-1 | 3 |
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine