Compound Detail
CHEMBL5722951
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Basic Information
| ChEMBL ID | CHEMBL5722951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLRBPAYJOZZPLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
4.26
ALogP
6
HBA
3
HBD
101.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Saphenous artery CHEMBL4845615 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of His-tagged human ROCK2 expressed in Sf9 cells pre-incubated for 10... | 18973168 |
| Saphenous artery | IC50 | = | 1100.0 | nM | 5.96 | Vasorelaxant activity in isolated Chinchilla rabbit saphenous artery vessels ass... | 18973168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18973168 | 10.1002/cmdc.200800211 | Rho-associated protein kinase 2 | 1 |
| 18973168 | 10.1002/cmdc.200800211 | Saphenous artery | 1 |
Data from ChEMBL 36 via Core Engine