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
TTD ID
D0F9MQ

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.