Details of the Drug

General Information of Drug (ID: DM27L53)

Drug Name
N-(2-hexyloxy-4-nitrophenyl)methanesulfonamide
Synonyms CHEMBL202471; N-(2-hexyloxy-4-nitrophenyl)methanesulfonamide; SCHEMBL3294121; BDBM50182531
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) 316.38
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C13H20N2O5S
IUPAC Name
N-(2-hexoxy-4-nitrophenyl)methanesulfonamide
Canonical SMILES
CCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
InChI
InChI=1S/C13H20N2O5S/c1-3-4-5-6-9-20-13-10-11(15(16)17)7-8-12(13)14-21(2,18)19/h7-8,10,14H,3-6,9H2,1-2H3
InChIKey
ZYLWBHCVEZSQJB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11493409
ChEBI ID
CHEMBL202471
TTD ID
D0F9MQ
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
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.