Details of the Drug

General Information of Drug (ID: DMR5QS6)

Drug Name

Hydroxystilbamidine Isethionate

Synonyms

Hydroxystilbamide; Hydroxystilbamidine diisethionate; FluoroGold (TN); Ethanesulfonic acid, 2-hydroxy-, compd. with 2-hydroxy-4,4'-stilbenedicarboxamidine (2:1); Ethanesulfonic acid, 2-hydroxy-, compd. with 2-hydroxy-4,4'-stilbenedicarboxamidine (2:1) (8CI); Benzenecarboximidamide, 4-(2-(4-(aminoiminomethyl)phenyl)ethenyl)-3-hydroxy-, bis(2-hydroxyethanesulfonate) (salt); Ethanesulfonic acid, 2-hydroxy-, compd. with 4-(2-(4-(aminoiminomethyl)phenyl)ethenyl)-3-hydroxybenzenecarboximidamide (2:1); (4E)-4-[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxocyclohexa-1,5-diene-1-carboximidamide; 2-Hydroxy-4,4'-diamidinostilbene di(beta-hydroxyethanesulfonate); 2-Hydroxy-4,4'-diguanylstilbene diisethionate; 2-Hydroxy-4,4'-stilbenedicarboxamidine bis(2-hydroxyethanesulfonate) (salt); 2-Hydroxy-4,4'-stilbenedicarboxamidine diisethionate; 2-Hydroxyethanesulphonic acid, compoundwith 4-(2-(4-amidinophenyl)vinyl)-3-hydroxybenzenecarboxamidine (2:1); 2-Hydroxystilbamidine diisethionate; 2-Hydroxystilbamidine isethionate; 2-hydroxyethanesulfonic acid

Indication

Disease Entry	ICD 11	Status	REF
Blastomycosis	1F22	Approved	[1]

Therapeutic Class

Antifungal Agents

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

406.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C18H22N4O5S
IUPAC Name: 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide;2-hydroxyethanesulfonic acid
Canonical SMILES: C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)C(=N)N)O)C(=N)N.C(CS(=O)(=O)O)O
InChI: InChI=1S/C16H16N4O.C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;3-1-2-7(4,5)6/h1-9,21H,(H3,17,18)(H3,19,20);3H,1-2H2,(H,4,5,6)/b4-1+;
InChIKey: HPLUMRXCPMTSQW-DYVSEJHDSA-N

Cross-matching ID

PubChem CID: 135460345
ChEBI ID: CHEMBL1200847
CAS Number: 533-22-2
TTD ID: D02RIV

Drug-Molecule Activity Atlas (DMA)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxyribonucleic acid (Bact DNA)	TTS1W4A	NOUNIPROTAC	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 009166.
2	Interaction between hydroxystilbamidine and DNA. I. Binding isotherms and thermodynamics of the association. Biochim Biophys Acta. 1975 Sep 12;407(1):24-42.