Details of the Drug

General Information of Drug (ID: DMTNOXQ)

Drug Name
OT-551
Synonyms Tempol-H prodrug, Othera
Indication
Disease Entry ICD 11 Status REF
Ocular inflammation 9C61.24 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 241.33
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H23NO3
IUPAC Name
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate
Canonical SMILES
CC1(CC(CC(N1O)(C)C)OC(=O)C2CC2)C
InChI
InChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3
InChIKey
ZWEXEKJLDHNLLA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10131000
CAS Number
627085-11-4
DrugBank ID
DB05650
TTD ID
D0P1IX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nuclear factor erythroid 2-related factor 2 (Nrf2) TTA6ZN2 NF2L2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Ocular inflammation
ICD Disease Classification 9C61.24
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nuclear factor erythroid 2-related factor 2 (Nrf2) DTT NFE2L2 4.75E-12 -0.28 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00306488) OT-551 Antioxidant Eye Drops to Treat Geographic Atrophy in Age-Related Macular Degeneration. U.S. National Institutes of Health.
2 New hope for dry AMD. Nat Rev Drug Discov. 2013 Jul;12(7):501-2.