Compound Detail
CHEMBL5865620
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Basic Information
| ChEMBL ID | CHEMBL5865620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXEHUEYJWPQYII-XMMISQBUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.85
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 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 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 5.39 | 5.39 | 4100.0 | 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 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
| Rho-associated protein kinase 1 | IC50 | = | 25.0 | nM | 7.6 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 900.0 | nM | 6.05 | JAK Kinase Assays: Compounds were prepared in the exact same manner as described... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 2000.0 | nM | 5.7 | JAK Kinase Assays: Compounds were prepared in the exact same manner as described... | - |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 4100.0 | nM | 5.39 | ROCK Kinase Inhibition Assays: All compounds were initially prepared as 10 mM st... | - |
Data from ChEMBL 36 via Core Engine