Compound Detail
CHEMBL5912968
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Basic Information
| ChEMBL ID | CHEMBL5912968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWHBGZBCJKQNCZ-OZAIVSQSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
2.91
ALogP
5
HBA
1
HBD
82.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.91 | 7.91 | 12.4 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.16 | 6.16 | 695.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 12.4 | nM | 7.91 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
| Rho-associated protein kinase 1 | IC50 | = | 28.0 | nM | 7.55 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 195.0 | nM | 6.71 | JAK Kinase Assays: Compounds were prepared in the exact same manner as described... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 695.0 | nM | 6.16 | JAK Kinase Assays: Compounds were prepared in the exact same manner as described... | - |
Data from ChEMBL 36 via Core Engine