Compound Detail
CHEMBL3800606
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Basic Information
| ChEMBL ID | CHEMBL3800606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MARZJWNTQZSLPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
2.29
ALogP
4
HBA
2
HBD
95.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.07 | 9.07 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.86 | nM | 9.07 | Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor e... | 26954848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26954848 | 10.1021/acs.jmedchem.5b01528 | Alpha-1D adrenergic receptor | 1 |
| 26954848 | 10.1021/acs.jmedchem.5b01528 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine