Compound Detail
CHEMBL5873976
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Cc1ccc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc(-c4cn[nH]c4)cc3)cc2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL5873976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHCZWHGCNNIQHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.73
ALogP
5
HBA
3
HBD
110.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
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