Compound Detail
CHEMBL109121
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Basic Information
| ChEMBL ID | CHEMBL109121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRFSGVXACTZKQI-HNAYVOBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.9
MW (Da)
3.75
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.5 | 5.5 | 3133.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 3133.0 | nM | 5.5 | In vitro binding affinity against Alpha-1 adrenergic receptor using [3H]prazosin... | 7636876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636876 | 10.1021/jm00016a017 | Glutamate NMDA receptor | 1 |
| 7636876 | 10.1021/jm00016a017 | Adrenergic receptor alpha-1 | 1 |
| 7636876 | 10.1021/jm00016a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine