Compound Detail
CHEMBL207437
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Basic Information
| ChEMBL ID | CHEMBL207437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFDIUFQMYJWYAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
-1.53
ALogP
5
HBA
1
HBD
99.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | EC50 | = | 3100.0 | nM | 5.51 | Vasodilator activity assessed as ability to relax phenylephrine-induced contract... | 16686532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28027869 | 10.1016/j.bmcl.2016.12.041 | No relevant target | 8 |
| 16686532 | 10.1021/jm0510530 | Alpha-1D adrenergic receptor | 2 |
| 28027869 | 10.1016/j.bmcl.2016.12.041 | Oryctolagus cuniculus | 2 |
| 16686532 | 10.1021/jm0510530 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine