General Information of Drug (ID: DMHTI5X)

Drug Name
N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide
Synonyms N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide; DB07920; N-oxo-2-(4-phenylbenzenesulfonamido)acetamide; N~2~-(biphenyl-4-ylsulfonyl)-N-oxoglycinamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 304.32
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H12N2O4S
IUPAC Name
N-oxo-2-[(4-phenylphenyl)sulfonylamino]acetamide
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)N=O
InChI
InChI=1S/C14H12N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKey
OGRPZMQLAVBWPV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46937106
DrugBank ID
DB07920
TTD ID
D05OZZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-12 (MMP-12) TTXZ0KQ MMP12_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 Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Matrix metalloproteinase-12 (MMP-12) DTT MMP12 1.22E-106 5.08 3.56
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.