Compound Detail
CHEMBL3218016
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Basic Information
| ChEMBL ID | CHEMBL3218016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEBIPHAOUSNXEJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.49
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.9 | 5.895 | 1250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRP... | 23275831 |
| Rho-associated protein kinase 2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition Assay: Attention was focused on exploring, in turn, the SAR around th... | - |
| Rho-associated protein kinase 1 | IC50 | = | 1250.0 | nM | 5.9 | Inhibition Assay: Attention was focused on exploring, in turn, the SAR around th... | - |
| Rho-associated protein kinase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of N-terminal GST-tagged ROCK1 (1 to 535) (unknown origin) using KKRP... | 23275831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23275831 | 10.1039/c2md00320a | Rho-associated protein kinase 1 | 1 |
| 23275831 | 10.1039/c2md00320a | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine