Details of the Drug

General Information of Drug (ID: DM8XOJC)

Drug Name
4-hydroxy-N-neopentyl-N-phenylbenzenesulfonamide
Synonyms CHEMBL203515; 4-hydroxy-N-neopentyl-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) 319.4
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H21NO3S
IUPAC Name
N-(2,2-dimethylpropyl)-4-hydroxy-N-phenylbenzenesulfonamide
Canonical SMILES
CC(C)(C)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C17H21NO3S/c1-17(2,3)13-18(14-7-5-4-6-8-14)22(20,21)16-11-9-15(19)10-12-16/h4-12,19H,13H2,1-3H3
InChIKey
QKNCIALYEAWCOU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44407806
TTD ID
D08LVT

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.