Compound Detail
CHEMBL31006
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 | CHEMBL31006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNSMSAGJMPLOQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.12
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 81.0 | nM | 7.09 | Alpha-1 adrenergic receptor activation causing vasoconstriction in the isolated ... | 6120238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6120238 | 10.1021/jm00344a009 | Unchecked | 1 |
| 6120238 | 10.1021/jm00344a009 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine