Compound Detail
CHEMBL3545065
VEROSUDIL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3545065 |
| Name | VEROSUDIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VDYRZXYYQMMFJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
327.4
MW (Da)
2.83
ALogP
4
HBA
2
HBD
65.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Rho-associated protein kinase inhibitor | INHIBITOR | Rho-associated protein kinase | ✓ | ✓ |
Indications
Glaucoma Ocular Hypertension
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | Ki | = | 2.0 | nM | 8.7 | Inhibition of ROCK1 (unknown origin) | 33481605 |
| Rho-associated protein kinase 2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of ROCK2 (unknown origin) | 33481605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Oryctolagus cuniculus | 2 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Sodium-dependent noradrenaline transporter | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Sodium-dependent serotonin transporter | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Cytochrome P450 2C19 | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Cytochrome P450 2D6 | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Cytochrome P450 3A4 | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Rho-associated protein kinase 1 | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine