Compound Detail
CHEMBL2170568
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Basic Information
| ChEMBL ID | CHEMBL2170568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJPUWIIDLRVJFX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
-0.07
ALogP
7
HBA
1
HBD
125.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thoracic aorta | EC50 | = | 830.0 | nM | 6.08 | Vasodilatory activity in Wistar rat denuded thoracic aorta assessed as inhibitio... | 22222158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222158 | 10.1016/j.bmc.2011.11.065 | Thoracic aorta | 3 |
Data from ChEMBL 36 via Core Engine