Details of the Drug

General Information of Drug (ID: DMZQUMB)

Drug Name
N-allyl-4-hydroxy-N-phenylbenzenesulfonamide
Synonyms CHEMBL426849; N-allyl-4-hydroxy-N-phenylbenzenesulfonamide
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) 289.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H15NO3S
IUPAC Name
4-hydroxy-N-phenyl-N-prop-2-enylbenzenesulfonamide
Canonical SMILES
C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H15NO3S/c1-2-12-16(13-6-4-3-5-7-13)20(18,19)15-10-8-14(17)9-11-15/h2-11,17H,1,12H2
InChIKey
CZEIYINPLQLEHQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44407887
TTD ID
D0AD8G

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Substituted 4-hydroxyphenyl sulfonamides as pathway-selective estrogen receptor ligands. Bioorg Med Chem Lett. 2006 Feb 15;16(4):854-8.