Compound Detail
CHEMBL6431
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Basic Information
| ChEMBL ID | CHEMBL6431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSZDMTCWVSGILQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
0.55
ALogP
8
HBA
3
HBD
122.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.76 | 8.76 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1.73 | nM | 8.76 | In vitro binding affinity determined for alpha-1 adrenergic receptor by the disp... | 2884316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha-1 | 2 |
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha-2 | 1 |
| 2884316 | 10.1021/jm00389a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine