BELUMOSUDIL MESYLATE

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key ILQJXEIRBCHLOM-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Graft vs Host Disease 4 D006086 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802130
CONTENTS