Details of the Drug

General Information of Drug (ID: DMXPQ5H)

Drug Name
4-hydroxy-N,N-diphenylbenzenesulfonamide
Synonyms CHEMBL203061; 4-hydroxy-N,N-diphenylbenzenesulfonamide; SCHEMBL2114599
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) 325.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H15NO3S
IUPAC Name
4-hydroxy-N,N-diphenylbenzenesulfonamide
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15NO3S/c20-17-11-13-18(14-12-17)23(21,22)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H
InChIKey
KLZORRIEDRGOHR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23582387
TTD ID
D0Z9ZY

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.