Compound Detail
CHEMBL3689462
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Basic Information
| ChEMBL ID | CHEMBL3689462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSSHWWLYALEYJS-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
3.40
ALogP
5
HBA
3
HBD
90.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.23 | 7.23 | 59.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 59.2 | nM | 7.23 | Kinase Inhibition Assay: Inhibition of ROCK2 activity was determined using the I... | - |
Data from ChEMBL 36 via Core Engine