Compound Detail
CHEMBL1083114
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Basic Information
| ChEMBL ID | CHEMBL1083114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWNTXLKHVHGBHD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
251.7
MW (Da)
1.08
ALogP
3
HBA
3
HBD
88.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of ROCK2 by luciferase based ATP detection assay | 20471253 |
| Rho-associated protein kinase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of ROCK2 | 20678931 |
| Rattus norvegicus | EC50 | = | 2500.0 | nM | 5.6 | Antihypertensive activity in spontaneously hypertensive rat aortic ring assessed... | 20678931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20471253 | 10.1016/j.bmcl.2010.04.069 | Rho-associated protein kinase 2 | 1 |
| 20678931 | 10.1016/j.bmcl.2010.07.014 | Rho-associated protein kinase 2 | 1 |
| 20678931 | 10.1016/j.bmcl.2010.07.014 | Rattus norvegicus | 1 |
| 20678931 | 10.1016/j.bmcl.2010.07.014 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine