Compound Detail
CHEMBL154624
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Basic Information
| ChEMBL ID | CHEMBL154624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXYRHGKYEAKQKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
2.11
ALogP
9
HBA
1
HBD
112.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.15 | 8.915 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 0.7 | nM | 9.15 | Compound was tested for its binding affinity for alpha-1 adrenergic receptor sit... | 2879919 |
| Adrenergic receptor alpha-1 | Ki | = | 2.1 | nM | 8.68 | Compound was tested for its binding affinity for alpha-1 adrenergic receptor sit... | 2879919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2879919 | 10.1021/jm00384a009 | Adrenergic receptor alpha-1 | 4 |
| 2879919 | 10.1021/jm00384a009 | Adrenergic receptor alpha-2 | 4 |
| 2879919 | 10.1021/jm00384a009 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine