Compound Detail
CHEMBL415285
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Basic Information
| ChEMBL ID | CHEMBL415285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXPSJGHGAVNKAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
2.05
ALogP
8
HBA
1
HBD
110.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 11.48 | nM | 7.94 | Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical m... | 2535878 |
| PC-3 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of prostate cancer (PC-3) cell proliferation | 15317457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2535878 | 10.1021/jm00121a020 | Adrenergic receptor alpha-1 | 2 |
| 15317457 | 10.1021/jm049752k | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine