Compound Detail
CHEMBL5281033
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Basic Information
| ChEMBL ID | CHEMBL5281033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZFJGJOKFAXJGE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.39
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.96 | 6.96 | 111.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of ROCK2 (unknown origin) | 26486225 |
| Rho-associated protein kinase 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of ROCK2 (unknown origin) using FITC-AHA- AKRRRLSSLRA-OH as substrate... | 37943013 |
| Rho-associated protein kinase 1 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of ROCK1 (unknown origin) | 26486225 |
| Rho-associated protein kinase 1 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of ROCK1 (unknown origin) using FITC-AHA- AKRRRLSSLRA-OH as substrate... | 37943013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26486225 | 10.1021/acs.jmedchem.5b00683 | Rho-associated protein kinase 2 | 1 |
| 26486225 | 10.1021/acs.jmedchem.5b00683 | Rho-associated protein kinase 1 | 1 |
| 37943013 | 10.1021/acs.jmedchem.3c01297 | Rho-associated protein kinase 2 | 1 |
| 37943013 | 10.1021/acs.jmedchem.3c01297 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine