Compound Detail
CHEMBL4634858
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Basic Information
| ChEMBL ID | CHEMBL4634858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJKNDSDPZOBVFW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
2.10
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.07
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Thoracic aorta CHEMBL2367449 | EC50 | 8.07 | 8.07 | 8.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 8.02 | nM | 8.1 | Inhibition of ROCK2 (unknown origin) assessed as phosphorylation of MYPT1 using ... | 32944136 |
| Thoracic aorta | EC50 | = | 8.5 | nM | 8.07 | Vasodilatory activity in Wistar albino rat thoracic aorta assessed as relaxation... | 32944136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32944136 | 10.1021/acsmedchemlett.0c00126 | Rho-associated protein kinase 2 | 1 |
| 32944136 | 10.1021/acsmedchemlett.0c00126 | Thoracic aorta | 1 |
Data from ChEMBL 36 via Core Engine