Compound Detail
CHEMBL3800449
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Basic Information
| ChEMBL ID | CHEMBL3800449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTDQMORGMOXXNC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.8
MW (Da)
1.73
ALogP
5
HBA
2
HBD
106.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 15.0 | nM | 7.82 | 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