Details of the Drug

General Information of Drug (ID: DMMLSZ4)

Drug Name
TENOSAL
Synonyms MR-Y134; Tenosal; 2-(2-Thienoyloxy)benzoic acid; 2-Thiophenecarboxylic acid salicyl ester
Indication
Disease Entry ICD 11 Status REF
Rheumatoid arthritis FA20 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 248.26
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C12H8O4S
IUPAC Name
2-(thiophene-2-carbonyloxy)benzoic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)OC(=O)C2=CC=CS2
InChI
InChI=1S/C12H8O4S/c13-11(14)8-4-1-2-5-9(8)16-12(15)10-6-3-7-17-10/h1-7H,(H,13,14)
InChIKey
JCUTZUSPPNNLDC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65838
CAS Number
95232-68-1
TTD ID
D0T3KZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Rheumatoid arthritis
ICD Disease Classification FA20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 2 (COX-2) DTT PTGS2 7.93E-04 -0.29 -0.34
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 US patent application no. 6,274,627, Conjugates of dithiocarbamate disulfides with pharmacologically active agents and uses therefor.