Compound Detail
CHEMBL3578250
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Basic Information
| ChEMBL ID | CHEMBL3578250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVRUQNLSZFAFOD-CQSZACIVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.14
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.29 | 9.29 | 0.5 | 3 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.51 | nM | 9.29 | Inhibition of ROCK2 (unknown origin) using substrate FITC-AHA- AKRRRLSSLRA-OH | 25941551 |
| Rho-associated protein kinase 2 | IC50 | = | 0.51 | nM | 9.29 | Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate ... | 32805407 |
| Rho-associated protein kinase 2 | IC50 | = | 0.51 | nM | 9.29 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate ... | 32805407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25941551 | 10.1021/acsmedchemlett.5b00079 | Rho-associated protein kinase 2 | 1 |
| 32805407 | 10.1016/j.bmcl.2020.127474 | Rho-associated protein kinase 2 | 1 |
| 32805407 | 10.1016/j.bmcl.2020.127474 | Rho-associated protein kinase 1 | 1 |
| 26486225 | 10.1021/acs.jmedchem.5b00683 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine