EcoDrugPlus


Trade Names	COTEMPLA XR-ODT DAYTRANA METHYLPHENIDATE
Synonyms	Concerta Cotempla xr-odt Daytrana Methylin Methylphenidate Methylphenidate extended release Prc-063 Threo-dl-methylphenidate
Status
Molecule Category	Free-form
ATC	N06BA04
UNII	207ZZ9QZ49
EPA CompTox	DTXSID5023299

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SubStructure

Threshold (%) >= 70


InChI Key	DUGOZIWVEXMGBE-UHFFFAOYSA-N
Smiles	COC(=O)C(c1ccccc1)C1CCCCN1
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H19NO2
Molecular Weight	233.31
AlogP	2.09
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	38.33
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	17.0

Mechanism of Action	Action	Reference
Dopamine transporter inhibitor	INHIBITOR	PubMed DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	17-83	-	34-660	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cercopithecidae	-	17	-	-	-
Homo sapiens	-	79	-	34-660	-
Rattus norvegicus	-	171-438	-	-	-

Target Conservation


Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546











Protein: Dopamine transporter Description: Sodium-dependent dopamine transporter Organism : Homo sapiens Q01959 ENSG00000142319

Cross References

Resources	Reference
ChEBI	84276
ChEMBL	CHEMBL796
DrugBank	DB00422
DrugCentral	1767
FDA SRS	207ZZ9QZ49
Human Metabolome Database	HMDB0014566
Guide to Pharmacology	7236
KEGG	C07196
PharmGKB	PA10054
PubChem	10657292
SureChEMBL	SCHEMBL37178
ZINC	ZINC02522648

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

METHYLPHENIDATE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References