Drug Information

Drug (ID: DG00435) and It's Reported Resistant Information

Name	Pyrimethamine/Atovaquone
Synonyms	Atovaquone & Pyrimethamine; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Click to Show/Hide
Structure
Drug Resistance Disease(s)	Disease(s) with Clinically Reported Resistance for This Drug (1 diseases) Pneumonia [ICD-11: CA40] [1]
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Formula	C34H32Cl2N4O3
IsoSMILES	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI	1S/C22H19ClO3.C12H13ClN4/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h1-4,9-13,15,24H,5-8H2;3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey	BXDNHABGOUHQGH-UHFFFAOYSA-N
PubChem CID	456850

Type(s) of Resistant Mechanism of This Drug

ADTT: Aberration of the Drug's Therapeutic Target

Drug Resistance Data Categorized by Their Corresponding Diseases

ICD-12: Respiratory system diseases

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Pneumonia [ICD-11: CA40]

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Drug Resistance Data Categorized by Their Corresponding Mechanisms
Aberration of the Drug's Therapeutic Target (ADTT)		Click to Show/Hide
Key Molecule: Dihydrofolate reductase (DHFR)			[1]
Molecule Alteration	Missense mutation	p.S37T	Molecule Info
Resistant Disease	Pneumocystis jirovecii infection [ICD-11: CA40.6]		Disease Info
Experimental Note	Identified from the Human Clinical Data
In Vitro Model	Pneumocystis jirovecii strain		42068
Experiment for Molecule Alteration	PCR amplification and sequence analysis
Experiment for Drug Resistance	Multivariate analysis of overall survival or disease-free survival assay
Mechanism Description	Amino acid changes in DHFR may contribute to P. jirovecii emerging drug (Trimethoprim, Pyrimethamine) resistance.

References

Ref 1	Mutations of Pneumocystis jirovecii dihydrofolate reductase associated with failure of prophylaxis. Antimicrob Agents Chemother. 2004 Nov;48(11):4301-5. doi: 10.1128/AAC.48.11.4301-4305.2004.