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
UniChem|DUGOZIWVEXMGBE-UHFFFAOYSA-N
IUPHAR|
Wikipedia|Methylphenidate

Target
Families | Methylphenidate ligand of proteins in family: Carb_B_Chordata
Protein | human-CES1

References:
Search PubMed for references concerning: Methylphenidate

18 more
    Title: Heterogeneity of Response to Methylphenidate in Apathetic Patients in the ADMET 2 Trial
    Lanctot KL, Rivet L, Tumati S, Perin J, Sankhe K, Vieira D, Mintzer J, Rosenberg PB, Shade D and Herrmann N <8 more author(s)>
    Ref: American Journal of Geriatry & Psychiatry, :, 2023 : 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