Details of the Drug

General Information of Drug (ID: DM5TU98)

Drug Name
4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
Synonyms CHEMBL205070; 4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
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) 291.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H17NO3S
IUPAC Name
4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
Canonical SMILES
CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H17NO3S/c1-2-12-16(13-6-4-3-5-7-13)20(18,19)15-10-8-14(17)9-11-15/h3-11,17H,2,12H2,1H3
InChIKey
VUUWGEGTDFUSTR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44407885
TTD ID
D0L0RK

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.