BELUMOSUDIL MESYLATE

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Synonyms
Status
Molecule Category Salt-form
UNII 6MX7XE1M0U

Structure

InChI Key ILQJXEIRBCHLOM-UHFFFAOYSA-N
Smiles CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1.CS(=O)(=O)O
InChI
InChI=1S/C26H24N6O2.CH4O3S/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22;1-5(2,3)4/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28N6O5S
Molecular Weight 548.63
AlogP 4.82
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 104.82
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Rho-associated protein kinase inhibitor INHIBITOR FDA

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 CHEMBL4802130
FDA SRS 6MX7XE1M0U
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