Details of the Drug

General Information of Drug (ID: DMAQMXJ)

Drug Name
N-(2-Propyloxy-4-nitrophenyl)methanesulfonamide
Synonyms
CHEMBL204184; N-(2-n-propyloxy-4-nitrophenyl)methanesulfonamide; 880145-98-2; N-(2-Propyloxy-4-nitrophenyl)methanesulfonamide; SCHEMBL3301465; CTK6E5797; BDBM50182536; AKOS015965877; N-(4-nitro-2-propoxyphenyl)methanesulfonamide
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) 274.3
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H14N2O5S
IUPAC Name
N-(4-nitro-2-propoxyphenyl)methanesulfonamide
Canonical SMILES
CCCOC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
InChI
InChI=1S/C10H14N2O5S/c1-3-6-17-10-7-8(12(13)14)4-5-9(10)11-18(2,15)16/h4-5,7,11H,3,6H2,1-2H3
InChIKey
GUPXOWXEFMIHHE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11680642
ChEBI ID
CHEMBL204184
TTD ID
D0E3IK
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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.