Details of the Drug

General Information of Drug (ID: DMIGKA1)

Drug Name
Ozagrel
Synonyms Ozagrel (ophthalmic, eye disorders); Ozagrel (ophthalmic, eye disorders), Kissei/ Teika
Indication
Disease Entry ICD 11 Status REF
Xerophthalmia 5B55.Y Phase 4 [1]
Chronic obstructive pulmonary disease CA22 Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 228.25
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H12N2O2
IUPAC Name
(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
Canonical SMILES
C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)O
InChI
InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
InChIKey
SHZKQBHERIJWAO-AATRIKPKSA-N
Cross-matching ID
PubChem CID
5282440
ChEBI ID
CHEBI:92359
CAS Number
82571-53-7
DrugBank ID
DB12017
TTD ID
D0C7AA
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
Stress-activated protein kinase 2a (p38 alpha) TTQBR95 MK14_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Tumor necrosis factor ligand superfamily member 11 (TNFSF11) OTJEPKEQ TNF11_HUMAN Gene/Protein Processing [4]
Tumor necrosis factor receptor superfamily member 11B (TNFRSF11B) OTQ4W7MT TR11B_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Xerophthalmia
ICD Disease Classification 5B55.Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Stress-activated protein kinase 2a (p38 alpha) DTT MAPK14 4.95E-14 0.48 1.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00200356) Edaravone-Sodium Ozagrel Comparative Post-Marketing Study on Acute Ischemic Stroke. U.S. National Institutes of Health.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800028430)
3 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
4 Thromboxane synthase mutations in an increased bone density disorder (Ghosal syndrome). Nat Genet. 2008 Mar;40(3):284-6. doi: 10.1038/ng.2007.66. Epub 2008 Feb 10.