Compound Detail
CHEMBL3680702
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CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)cc2C1
Basic Information
| ChEMBL ID | CHEMBL3680702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXDUXWSTRPTDDP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
2.60
ALogP
6
HBA
3
HBD
121.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.23 | 7.915 | 5.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 5.9 | nM | 8.23 | Luciferin-Luciferase Assay: The activity of ROCKII (1-543) kinase is measured ut... | - |
| Rho-associated protein kinase 2 | IC50 | = | 25.0 | nM | 7.6 | IMAP Assay: This assay is performed using FAM S6 substrate peptide (Catalogue #R... | - |
Data from ChEMBL 36 via Core Engine