Substrate

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Substrate Report for: Methylphenidate

Used alongside educational and psychosocial intervention to treat attention deficit hyperactivity disorder (ADHD) and to treat narcolepsy. This drug blocks the reuptake of norepinephrine and dopamine into presynaptic neurons, resulting in increased levels of monoamines active in the extraneuronal space. It is metabolised by Carboxylesterases. The d-MPH enantiomer is the most active



General
Type: Piperidine, Not A/B H target, Drug
Chemical_Nomenclature: methyl 2-phenyl-2-piperidin-2-ylacetate
Canonical SMILES: COC(=O)C(C1CCCCN1)C2=CC=CC=C2
InChI: InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
InChIKey: DUGOZIWVEXMGBE-UHFFFAOYSA-N
Other name(s): Methylphenidan ; Concerta ; Daytrana ; Phenidylate ; Calocain ; Ritalin ; Ritaline ; Centedrin ; Equasym ; Metadate ; Methylin
MW: 233.30
Formula: C14H19NO2
CAS_number: 113-45-1
PubChem: 4158
IUPHAR:
Wikipedia: Methylphenidate

Target families
Methylphenidate ligand of proteins in family: Carb_B_Chordata
No structure

Protein target
Enzyme: human-CES1

References
Search PubMed for references concerning: Methylphenidate

17 more
    Title: Plasma Concentrations of Methylphenidate Enantiomers in Adults with ADHD and Substance Use Disorder, with focus on high doses and relationship to Carboxylesterase activity
    Arvidsson M, Franck J, Ackehed G, Pettersson Bergstrand M, Ekstrom L, Rosenborg S, Dahl ML
    Ref: Basic Clin Pharmacol Toxicol, :, 2022 : PubMed

            

    Title: Prediction of Carboxylesterase 1 (CES1)-mediated In Vivo Drug Interaction between Methylphenidate and Cannabinoids using Static and Physiologically Based Pharmacokinetic Models
    Qian Y, Markowitz JS
    Ref: Drug Metabolism & Disposition: The Biological Fate of Chemicals, :, 2022 : PubMed

            

    Title: Physiologically-based pharmacokinetic modeling to predict methylphenidate exposure affected by interplay among carboxylesterase 1 pharmacogenetics, drug-drug interactions, and sex
    Xiao J, Shi J, Thompson BR, Smith DE, Zhang T, Zhu HJ
    Ref: J Pharm Sci, :, 2022 : PubMed