Details of the Drug

General Information of Drug (ID: DM548TK)

Drug Name
Belumosudil
Synonyms KD025
Indication
Disease Entry ICD 11 Status REF
Graft-versus-host disease 4B24 Approved [1]
Psoriasis vulgaris EA90 Phase 2 [2]
Rheumatoid arthritis FA20 Phase 2 [3]
Psoriatic arthritis FA21 Phase 1 [4]
Scleroderma 4A42 Phase 1 [4]
Systemic lupus erythematosus 4A40.0 Phase 1 [4]
⏷ Show the Full List of Indication(s)
Affected Organisms
Humans and other mammals
ATC Code
L04AA48: Belumosudil
L04AA: Selective immunosuppressants
L04A: IMMUNOSUPPRESSANTS
L04: IMMUNOSUPPRESSANTS
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 452.5
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C26H24N6O2
IUPAC Name
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
Canonical SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5
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)
InChIKey
GKHIVNAUVKXIIY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11950170
ChEBI ID
CHEMBL2005186
CAS Number
911417-87-3
UNII
834YJF89WO
DrugBank ID
DB16703
TTD ID
D0U5UC
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Rho-associated protein kinase 2 (ROCK2) TTGWKQJ ROCK2_HUMAN Inhibitor [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Graft-versus-host disease
ICD Disease Classification 4B24
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Rho-associated protein kinase 2 (ROCK2) DTT ROCK2 8.76E-01 6.89E-03 0.03
Rho-associated protein kinase 2 (ROCK2) DTT ROCK2 1.39E-02 -0.09 -0.39
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2021. Application Number: 214783.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT02317627) Study of of KD025 in Subjects With Psoriasis Vulgaris Who Failed First-Line Therapy. U.S. National Institutes of Health.
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Selective oral ROCK2 inhibitor down-regulates IL-21 and IL-17 secretion in human T cells via STAT3-dependent mechanism. Proc Natl Acad Sci U S A. 2014 Nov 25;111(47):16814-9.