Compound Detail
CHEMBL3965274
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Basic Information
| ChEMBL ID | CHEMBL3965274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHGWETKOANDIKB-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.72
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.9 | 8.64 | 1.3 | 3 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.51 | 8.0767 | 3.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 1.27 | nM | 8.9 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 2 | IC50 | = | 1.28 | nM | 8.89 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 1 | IC50 | = | 3.1 | nM | 8.51 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 1 | IC50 | = | 3.17 | nM | 8.5 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 2 | IC50 | = | 7.43 | nM | 8.13 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 1 | IC50 | = | 59.8 | nM | 7.22 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
Data from ChEMBL 36 via Core Engine