Compound Detail
CHEMBL1223498
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Basic Information
| ChEMBL ID | CHEMBL1223498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXRZSOWZRRRJSB-LBPRGKRZSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.8
MW (Da)
2.10
ALogP
3
HBA
3
HBD
88.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.483 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of ROCK2 | 20678931 |
| Rattus norvegicus | EC50 | = | 500.0 | nM | 6.3 | Antihypertensive activity in spontaneously hypertensive rat aortic ring assessed... | 20678931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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