Compound Detail
CHEMBL3582268
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Basic Information
| ChEMBL ID | CHEMBL3582268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNMNBFPDHZVEGX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
2.00
ALogP
10
HBA
2
HBD
144.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 2.1 | nM | 8.68 | Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfecte... | 26005522 |
| Alpha-1A adrenergic receptor | IC50 | = | 3.9 | nM | 8.41 | Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfecte... | 26005522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005522 | 10.1021/ml5004298 | ADMET | 6 |
| 26005522 | 10.1021/ml5004298 | Alpha-1A adrenergic receptor | 4 |
| 26005522 | 10.1021/ml5004298 | Alpha-1D adrenergic receptor | 3 |
| 26005522 | 10.1021/ml5004298 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine