Details of the Drug

General Information of Drug (ID: DMKI2XC)

Drug Name

Sulfacytine

Synonyms

Renoquid; Sulfacitina; Sulfacitine; Sulfacitinum; CL 636; Renoquid (TN); Sulfacitina [INN-Spanish]; Sulfacitinum [INN-Latin]; Sulfacytine (USAN); Sulfacytine [USAN:BAN]; N-Sulfanilyl-l-ethylcytosine; Nl-sulfanilyl-1-ethylcytosine; N(sup 1)-(1-Ethyl-1,2-dihydro-2-oxo-4-pyrimidinyl)sulfanilamide; N(sup1)-(1-Ethyl-1,2-dihydro-2-oxo-4-pyrimidinyl)sulfanilamide; Sulfanilamide, N1-(1-ethyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-(8CI); 1-Ethyl N4-sulfanilylcytosin; 1-Ethyl-N-sulfanilylcytosine; 4-amino-N-(1-ethyl-2-oxo-1,2-dihydropyrimidin-4-yl)benzenesulfonamide; 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Cystitis	GC00	Approved	[1], [2]
Urinary tract infection	GC08	Approved	[1], [2]

Therapeutic Class

Antiinfective Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

294.33

Topological Polar Surface Area (xlogp)

0.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is well absorbed after oral administration [3]

Chemical Identifiers

Formula: C12H14N4O3S
IUPAC Name: 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide
Canonical SMILES: CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI: InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)
InChIKey: SIBQAECNSSQUOD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5322
ChEBI ID: CHEBI:135230
CAS Number: 17784-12-2
DrugBank ID: DB01298
TTD ID: D0T1GT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Dihydropteroate synthetase (Bact folP)	TT4ILYC	DHPS_ECOLI	Inhibitor	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 017569.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
4	Sulfacytine in uncomplicated urinary tract infections. Double-blind comparison with sulfisoxazole. Urology. 1976 Mar;7(3):267-71.
5	In vitro activities of novel antifolate drug combinations against Plasmodium falciparum and human granulocyte CFUs. Antimicrob Agents Chemother. 1995 Apr;39(4):948-52.
6	Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling. Bioorg Med Chem. 2008 May 15;16(10):5788-94.
7	Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
8	Polymyxin B sulfate and colistin: old antibiotics for emerging multiresistant gram-negative bacteria. Ann Pharmacother. 1999 Sep;33(9):960-7.
9	The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
10	Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. Antimicrob Agents Chemother. 1995 Aug;39(8):1756-63.
11	A confirmatory method for the simultaneous extraction, separation, identification and quantification of Tetracycline, Sulphonamide, Trimethoprim an... J Chromatogr A. 2009 Nov 13;1216(46):8110-6.
12	Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles. Biochemistry. 2001 Oct 2;40(39):11676-86.