Compound Detail
CHEMBL4108559
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Basic Information
| ChEMBL ID | CHEMBL4108559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCKIJVYMPZVOFI-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.94
ALogP
4
HBA
3
HBD
87.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.56 | 8.56 | 2.8 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.18 | 8.18 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 2.78 | nM | 8.56 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 1 | IC50 | = | 6.55 | nM | 8.18 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
Data from ChEMBL 36 via Core Engine