Compound Detail
CHEMBL5790296
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Basic Information
| ChEMBL ID | CHEMBL5790296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWSHFUIHULMPOO-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.73
ALogP
6
HBA
3
HBD
104.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.16 | 6.7175 | 70.0 | 4 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.39 | 5.39 | 4100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 70.0 | nM | 7.16 | ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... | - |
| Rho-associated protein kinase 2 | IC50 | = | 70.0 | nM | 7.16 | Z′-LYTE Kinase Assay: Purified active ROCK1 and ROCK2 were obtained from Invitro... | - |
| Rho-associated protein kinase 2 | IC50 | = | 70.0 | nM | 7.16 | ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... | - |
| Rho-associated protein kinase 1 | IC50 | = | 4100.0 | nM | 5.39 | ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... | - |
| Rho-associated protein kinase 2 | IC50 | = | 4100.0 | nM | 5.39 | Z′-LYTE Kinase Assay: Purified active ROCK1 and ROCK2 were obtained from Invitro... | - |
| Rho-associated protein kinase 1 | IC50 | = | 4100.0 | nM | 5.39 | ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... | - |
Data from ChEMBL 36 via Core Engine