Details of the Drug

General Information of Drug (ID: DMZI2UF)

Drug Name
Sulphadoxine
Synonyms
2447-57-6; Sulforthomidine; Fanasil; Sulphormethoxine; 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; Sulfadoxinum; Sulfadoxina; Sulfadoxin; Fanzil; Solfadossina; Ro 4-4393; Solfadossina [DCIT]; Sulfadoxinum [INN-Latin]; Sulfadoxina [INN-Spanish]; 4-Sulfanilamido-5,6-dimethoxypyrimidine; 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-; WR 4873; N'-(5,6-Dimethoxy-4-pyrimidyl)sulfanilamide; UNII-88463U4SM5; Orthosulfin; Sulformethoxine; Sulformetoxine; Sulphormetoxin; Sulphorthodimethoxine; WR 4073; Ro-4-4393; Sanasil: Sulfadoxine: Sulformetoxin; Sulfadoxine (JAN/USP/INN); Sulfadoxine [USAN:INN:BAN:JAN]; N1-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide; N(sup 1)-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide; 4-amino-N-[5,6-bis(methyloxy)pyrimidin-4-yl]benzenesulfonamide; 6-(4-Aminobenzenesulfonamido)-4,5-dimethoxypyrimidine; RS-1653
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 310.33
Topological Polar Surface Area (xlogp) 0.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
ADMET Property
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 80.55843 micromolar/kg/day [3]
Chemical Identifiers
Formula
C12H14N4O4S
IUPAC Name
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Canonical SMILES
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKey
PJSFRIWCGOHTNF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17134
ChEBI ID
CHEBI:9329
CAS Number
2447-57-6
DrugBank ID
DB01299
TTD ID
D07PAO

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 Binder [1], [4]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Malaria
ICD Disease Classification 1F40-1F45
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Sulphadoxine (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Remdesivir. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [24]
Insulin-glulisine DMQI0FU Moderate Increased risk of hypoglycemia by the combination of Sulphadoxine and Insulin-glulisine. Acute diabete complication [5A2Y] [25]
Insulin-aspart DMX7V28 Moderate Increased risk of hypoglycemia by the combination of Sulphadoxine and Insulin-aspart. Acute diabete complication [5A2Y] [26]
Bedaquiline DM3906J Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Bedaquiline. Antimicrobial drug resistance [MG50-MG52] [27]
Pexidartinib DMS2J0Z Major Increased risk of hepatotoxicity by the combination of Sulphadoxine and Pexidartinib. Bone/articular cartilage neoplasm [2F7B] [28]
Cannabidiol DM0659E Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Cannabidiol. Epileptic encephalopathy [8A62] [29]
Brentuximab vedotin DMWLC57 Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Brentuximab vedotin. Hodgkin lymphoma [2B30] [30]
Mipomersen DMGSRN1 Major Increased risk of hepatotoxicity by the combination of Sulphadoxine and Mipomersen. Hyper-lipoproteinaemia [5C80] [31]
BMS-201038 DMQTAGO Major Increased risk of hepatotoxicity by the combination of Sulphadoxine and BMS-201038. Hyper-lipoproteinaemia [5C80] [32]
Calaspargase pegol DMQZBXI Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [33]
Idelalisib DM602WT Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Idelalisib. Mature B-cell leukaemia [2A82] [34]
Trabectedin DMG3Y89 Moderate Increased risk of hepatotoxicity by the combination of Sulphadoxine and Trabectedin. Solid tumour/cancer [2A00-2F9Z] [29]
Insulin-detemir DMOA4VW Moderate Increased risk of hypoglycemia by the combination of Sulphadoxine and Insulin-detemir. Type-1/2 diabete [5A10-5A11] [25]
Insulin degludec DMPL395 Moderate Increased risk of hypoglycemia by the combination of Sulphadoxine and Insulin degludec. Type-1/2 diabete [5A10-5A11] [25]
⏷ Show the Full List of 14 DDI Information of This Drug

References

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