Compound Detail
CHEMBL3680802
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Basic Information
| ChEMBL ID | CHEMBL3680802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPYQBASTYQLBBZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.07
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.16 | 7.815 | 6.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 6.9 | nM | 8.16 | Luciferin-Luciferase Assay: The activity of ROCKII (1-543) kinase is measured ut... | - |
| Rho-associated protein kinase 2 | IC50 | = | 34.0 | nM | 7.47 | IMAP Assay: This assay is performed using FAM S6 substrate peptide (Catalogue #R... | - |
Data from ChEMBL 36 via Core Engine