Compound Detail
CHEMBL6062242
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Basic Information
| ChEMBL ID | CHEMBL6062242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFBYIIFQXUFBCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.56
ALogP
4
HBA
3
HBD
93.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Myosin light chain kinase family member 4 CHEMBL5426 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 55.0 | nM | 7.26 | In Vitro Effect Assay: Table 2: Inhibitory effect of each compound synthesized a... | - |
| Myosin light chain kinase family member 4 | IC50 | = | 550.0 | nM | 6.26 | n Vitro Effect Assay: Table 4: Assay for Inhibitory Effect on Myosin Light Chain... | - |
Data from ChEMBL 36 via Core Engine