Compound Detail
CHEMBL4203316
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Basic Information
| ChEMBL ID | CHEMBL4203316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPYRFQAGJBOJFZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
1.44
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | IC50 | 4.34 | 4.31 | 46000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | IC50 | = | 46000.0 | nM | 4.34 | Vasodilating activity in Wistar rat aortic rings assessed as reduction in phenyl... | 31673316 |
| Aorta | IC50 | = | 52000.0 | nM | 4.28 | Vasodilating activity in Wistar rat aortic rings assessed as reduction in KCl-in... | 31673316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31673316 | 10.1039/C9MD00108E | Aorta | 4 |
| 28683403 | 10.1016/j.ejmech.2017.06.024 | Unchecked | 2 |
| 31673316 | 10.1039/C9MD00108E | MM1.S | 1 |
| 31673316 | 10.1039/C9MD00108E | A549 | 1 |
| 31673316 | 10.1039/C9MD00108E | HCT-116 | 1 |
| 31673316 | 10.1039/C9MD00108E | MCF7 | 1 |
| 31673316 | 10.1039/C9MD00108E | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine