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
CAS Number
23589-77-7
TTD ID
D0K7CX

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).