Details of the Drug

General Information of Drug (ID: DMHY35A)

Drug Name

N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide

Synonyms

CHEMBL379234; N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide; Enamine_001944; Oprea1_552384; AC1M697W; SCHEMBL10904389; MolPort-004-000-970; HMS1399I08; ZINC3251814; BDBM50177761; AKOS008967166; MCULE-9434872926; N-ethyl-4-hydroxy-N-phenylbenzene-1-sulfonamide; Z56821525

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

277.34

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H15NO3S
IUPAC Name: N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide
Canonical SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)O
InChI: InChI=1S/C14H15NO3S/c1-2-15(12-6-4-3-5-7-12)19(17,18)14-10-8-13(16)9-11-14/h3-11,16H,2H2,1H3
InChIKey: VGVYBVTUILCGFQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2368773
TTD ID: D09ULU

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.