Compound Detail
CHEMBL5953458
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Basic Information
| ChEMBL ID | CHEMBL5953458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCWVMBBQNJPXLI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.00
ALogP
7
HBA
2
HBD
105.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.3 | 6.3 | 500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 500.0 | nM | 6.3 | ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... | - |
| Rho-associated protein kinase 2 | IC50 | = | 500.0 | nM | 6.3 | Z′-LYTE Kinase Assay: Purified active ROCK1 and ROCK2 were obtained from Invitro... | - |
| Rho-associated protein kinase 2 | IC50 | = | 500.0 | nM | 6.3 | ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... | - |
Data from ChEMBL 36 via Core Engine