Details of the Drug

General Information of Drug (ID: DMZRPM5)

Drug Name
HT1042
Synonyms 5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one; CHEMBL3265177; 23589-77-7; NSC294566; AC1L6WL8; GTPL8649; SCHEMBL1781484; DTXSID10315430; BDBM50010993
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 224.2
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H4N2O4S
IUPAC Name
5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NSC(=O)O2
InChI
InChI=1S/C8H4N2O4S/c11-8-14-7(9-15-8)5-2-1-3-6(4-5)10(12)13/h1-4H
InChIKey
QBAZATRGWRVUFN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
325597
ChEBI ID
CHEMBL3265177
CAS Number
23589-77-7
TTD ID
D0K7CX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proteasome beta-8 (PS beta-8) TTEAD9J PSB8_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mice completely lacking immunoproteasomes show major changes in antigen presentation. Nat Immunol. 2011 Dec 25;13(2):129-35.
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2408).