Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMUQE2A)

• Drug Name: Dexmethylphenidate Drug Info
• Synonyms: Dexmethylphenidate; Dexmethylphenidate (INN); Dexmethylphenidate [INN]; Focalin; Focalin XR; M32RH9MFGP; Methyl D-phenidate; d-Methylphenidate; Attenade; Dex methylphenidate; d-threo-Methylphenidate; dex-methylphenidate; dexmethylphenidatum; dexmetilfenidato; threo-(+)-Methylphenidate; (+)-threo-Methylphenidate; 40431-64-9; CHEBI:51860; CHEMBL827; D-MPH; D-TMP; UNII-M32RH9MFGP; methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate; methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate; methyl (R)-phenyl[(R)-piperidin-2-yl]acetate

Indication

Disease Entry	ICD 11	Status	REF
Attention deficit hyperactivity disorder	6A05.Z	Suspended	[]

• Cross-matching ID:
  PubChem CID: 154101
  ChEBI ID: CHEBI:51860
  CAS Number: CAS 40431-64-9
  TTD Drug ID: DMUQE2A
  INTEDE Drug ID: DR1760

Molecule-Related Drug Atlas

Drug(s) Metabolized By Carboxylesterase 1 (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[2]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[3]
Candesartan	DMRK8OT	Chronic heart failure	BD1Z	Approved	[4]
Salbutamol	DMN9CWF	Acute asthma	CA23	Approved	[5]
Methylphenidate	DM7SJD6	Attention deficit hyperactivity disorder	6A05.Z	Approved	[6]
PSI-7977	DMLSUWZ	HCV 1-6 infection	1E51	Approved	[7]
Rufinamide	DMWE60C	Epilepsy	8A60-8A68	Approved	[8]
MK-4827	DMLYGH4	Ovarian cancer	2C73	Phase 3	[9]
Dabigatran etexilate	DMRDZ4X	Venous thromboembolism	BD72	Phase 3	[10]
Pradaxa	DM2ZYX9	Stroke	8B20	Phase 3	[11]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Carboxylesterase 1 (CES1) Main DME	DEB30C5	EST1_HUMAN	Substrate	[1]

References

• [1] Dexmethylphenidate hydrochloride in the treatment of attention deficit hyperactivity disorder. Neuropsychiatr Dis Treat. 2006 Dec;2(4):467-73.
• [2] Irinotecan and its active metabolite, SN-38: review of bioanalytical methods and recent update from clinical pharmacology perspectives. Biomed Chromatogr. 2010 Jan;24(1):104-23.
• [3] Absorption and cleavage of enalapril, a carboxyl ester prodrug, in the rat intestine: in vitro, in situ intestinal perfusion and portal vein cannulation models. Biopharm Drug Dispos. 2015 Sep;36(6):385-397.
• [4] Different hydrolases involved in bioactivation of prodrug-type angiotensin receptor blockers: carboxymethylenebutenolidase and carboxylesterase 1. Drug Metab Dispos. 2013 Nov;41(11):1888-95.
• [5] Effect of carboxylesterase 1 c.428G>A single nucleotide variation on the pharmacokinetics of quinapril and enalapril. Br J Clin Pharmacol. 2015 Nov;80(5):1131-8.
• [6] Methylphenidate is stereoselectively hydrolyzed by human carboxylesterase CES1A1. J Pharmacol Exp Ther. 2004 Aug;310(2):469-76.
• [7] Mechanism of activation of PSI-7851 and its diastereoisomer PSI-7977. J Biol Chem. 2010 Nov 5;285(45):34337-47.
• [8] Investigation of the metabolism of rufinamide and its interaction with valproate. Drug Metab Lett. 2011 Dec;5(4):280-9.
• [9] Summary of FDA-approved anticancer cytotoxic drugs at May 2019.
• [10] Pharmacogenomics of novel direct oral anticoagulants: newly identified genes and genetic variants. J Pers Med. 2019 Jan 17;9(1). pii: E7.
• [11] Conventional liquid chromatography/triple quadrupole mass spectrometry based metabolite identification and semi-quantitative estimation approach in the investigation of in vitro dabigatran etexilate metabolism. Anal Bioanal Chem. 2013 Feb;405(5):1695-704.