VEROSUDIL

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Synonyms
Status
Molecule Category Free-form
UNII MAF34143WM

Structure

InChI Key VDYRZXYYQMMFJW-UHFFFAOYSA-N
Smiles CN(C)C(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccsc1
InChI
InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17N3O2S
Molecular Weight 327.41
AlogP 2.83
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 65.2
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Rho-associated protein kinase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 67
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 67

Target Conservation

Protein: Rho-associated protein kinase
Description: Rho-associated protein kinase 2
Organism : Homo sapiens
O75116 ENSG00000134318
Protein: Rho-associated protein kinase
Description: Rho-associated protein kinase 1
Organism : Homo sapiens
Q13464 ENSG00000067900

Cross References

Resources Reference
ChEMBL CHEMBL3545065
FDA SRS MAF34143WM
Guide to Pharmacology 8911
PubChem 66906051
SureChEMBL SCHEMBL19235657
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