Details of the Drug | DrugMAP

General Information of Drug (ID: DMSW5QP)

Drug Name	Cotrimoxazole
Synonyms	Centran; Centrin; Cotrim.L.U.T; Eslectin; Insozalin; Biseptol-480; LS-2191; Metomide; Trimedin; Trimethoprim/Sulfamethoxazol; Trimezole; CHEMBL195591; Sulfamethoxazole-Trimethoprim Combination
Structure
Structure	3D MOL is unavailable			2D MOL
#Ro5 Violations (Lipinski): 2	Molecular Weight			542.6
	Logarithm of the Partition Coefficient			Not Available
	Rotatable Bond Count			8
	Hydrogen Bond Donor Count			3
	Hydrogen Bond Acceptor Count			12
Chemical Identifiers	Formula C25H30N6O6S IUPAC Name 4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]aniline;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Canonical SMILES CC1=CC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI CTNTUFQBOKZSPI-UHFFFAOYSA-N InChIKey 1S/C14H18N4O3.C11H12N2O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-8-6-10(13-16-8)7-17(14,15)11-4-2-9(12)3-5-11/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,7,12H2,1H3
Cross-matching ID	PubChem CID 24719 INTEDE ID DR2717

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-lactamase (blaB)_{Main DME}	DEP0IWS	A0A378EHS6_KLEPR	Substrate	[1]

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Molecular Interaction Atlas (MIA)

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References

1	Analysis of the drug-resistant characteristics of Klebsiella pneumoniae isolated from the respiratory tract and CTX-M ESBL genes. Genet Mol Res. 2015 Oct 5;14(4):12043-8.