Compound Detail
CHEMBL1203856
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1203856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJQXHOLOWIMQGX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL355043 |
| Active Moiety | CHEMBL355043 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.94
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 3.7 | nM | 8.43 | In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ra... | 11300868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300868 | 10.1021/jm0003891 | Alpha-1D adrenergic receptor | 1 |
| 11300868 | 10.1021/jm0003891 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine