Details of the Drug

General Information of Drug (ID: DM8WBAH)

Drug Name

DEXMETHYLPHENIDATE HYDROCHLORIDE

Synonyms

Dexmethylphenidate hydrochloride; Focalin; D-threo-Methylphenidate hydrochloride; Dexmethylphenidate HCl; Focalin XR; UNII-1678OK0E08; Dexmethylphenidate hydrochloride [USAN]; 19262-68-1; 1678OK0E08; 23655-65-4; CHEMBL904; Methyl (2R)-phenyl((2R)-piperidin-2-yl)acetate hydrochloride; dl-threo-Methylphenidate Hydrochloride; 2-Piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride, (R-(R*,R*))-; 2-Piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride, (alphaR,2R)-; Dexmethylphenidate; NWP06

Indication

Disease Entry	ICD 11	Status	REF
Attention deficit hyperactivity disorder	6A05.Z	Approved	[1]

ATC Code

N06BA11: DEXMETHYLPHENIDATE HYDROCHLORIDE

N06BA: Centrally acting sympathomimetics

N06B: PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS

N06: PSYCHOANALEPTICS

N: NERVOUS SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

269.77

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Absorption Tmax: The time to maximum plasma concentration (Tmax) is 3-6 h [2]
Bioavailability: The bioavailability of drug is 32% [2]
Clearance: The renal clearance of drug is 0.005 L/h/kg []
Elimination: Dexmethylphenidate is mainly eliminated renally, and 90% of the dose is collected in the urine and 3.3% is collected from feces [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 2.2 hours [4]
Metabolism: The drug is metabolized via the carboxylesterase 1A1 in the liver [3]
Vd: The volume of distribution (Vd) of drug is 2.65 L/kg [3]

Chemical Identifiers

Formula: C14H20ClNO2
IUPAC Name: methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate;hydrochloride
Canonical SMILES: COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC=CC=C2.Cl
InChI: InChI=1S/C14H19NO2.ClH/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;1H/t12-,13-;/m1./s1
InChIKey: JUMYIBMBTDDLNG-OJERSXHUSA-N

Cross-matching ID

PubChem CID: 154100
CAS Number: 19262-68-1
TTD ID: D02QCD
VARIDT ID: DR00844

Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[5]

Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Attention deficit hyperactivity disorder

ICD Disease Classification

6A05.Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Zepatier FDA label
3	Latini R, Tognoni G, Kates RE: Clinical pharmacokinetics of amiodarone. Clin Pharmacokinet. 1984 Mar-Apr;9(2):136-56. doi: 10.2165/00003088-198409020-00002.
4	Dose-proportional and stereospecific pharmacokinetics of methylphenidate delivered using an osmotic, controlled-release oral delivery system. J Clin Pharmacol. 2000 Oct;40(10):1141-9.
5	Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate. J Med Chem. 2007 May 31;50(11):2718-31.