BELUMOSUDIL

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 834YJF89WO

Structure
InChI Key GKHIVNAUVKXIIY-UHFFFAOYSA-N
Smile CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChI
InChI=1S/C26H24N6O2/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/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24N6O2
Molecular Weight 452.52
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 2 inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- 60-1020 65 40-24000 -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - - 3162.28 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - - 3162.28 -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - - 2511.89 -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - - 5011.87 -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - - 100 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - - 2511.89 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - - - 30.69
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - 1000 -
Enzyme Transferase
- - - - -34.99--2.985
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.03-4.77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Scleroderma, Diffuse 2 D045743 ClinicalTrials
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Graft vs Host Disease 2 D006086 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2005186
EPA CompTox DTXSID80238425
FDA SRS 834YJF89WO
Guide to Pharmacology 9558
SureChEMBL SCHEMBL878202
ZINC ZINC000063298464
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