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
CAS Number
911417-87-3
UNII
834YJF89WO
DrugBank ID
DB16703
TTD ID
D0U5UC
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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.