General Information of Drug (ID: DMU6FPL)

Drug Name
N-(2-nonyloxy-4-nitrophenyl)methanesulfonamide
Synonyms CHEMBL202469; N-(2-nonyloxy-4-nitrophenyl)methanesulfonamide; SCHEMBL3295100; BDBM50182532
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): 1 Molecular Weight (mw) 358.5
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H26N2O5S
IUPAC Name
N-(4-nitro-2-nonoxyphenyl)methanesulfonamide
Canonical SMILES
CCCCCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
InChI
InChI=1S/C16H26N2O5S/c1-3-4-5-6-7-8-9-12-23-16-13-14(18(19)20)10-11-15(16)17-24(2,21)22/h10-11,13,17H,3-9,12H2,1-2H3
InChIKey
QXUZIGSBVCSGCD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11646165
TTD ID
D04DZZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition. J Med Chem. 2006 Feb 23;49(4):1413-9.