Compound Detail
CHEMBL2234444
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Basic Information
| ChEMBL ID | CHEMBL2234444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDAVXRWJDNCAQA-GOTSBHOMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.51
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.06 | 8.06 | 8.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 8.71 | nM | 8.06 | Binding affinity to adrenergic alpha1A receptor (unknown origin) | - |
| Alpha-1A adrenergic receptor | Ki | = | 8.7 | nM | 8.06 | Binding affinity to adrenergic alpha1A receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9379-1 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine