Compound Detail
CHEMBL1643571
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Basic Information
| ChEMBL ID | CHEMBL1643571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHTZIHUTLKKYNH-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.95
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.71 | 5.71 | 1949.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 1949.84 | nM | 5.71 | Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polari... | 21145740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21145740 | 10.1016/j.bmcl.2010.11.060 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine