DEXMETHYLPHENIDATE


Synonyms	Dexmethylphenidate Methylphenidate d-threo-form
Status
Molecule Category	Free-form
ATC	N06BA11
UNII	M32RH9MFGP
EPA CompTox	DTXSID70893769


InChI Key	DUGOZIWVEXMGBE-CHWSQXEVSA-N
Smiles	COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
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/t12-,13-/m1/s1

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	24-989	-	16-25	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cercopithecidae	-	88	-	-	-
Homo sapiens	-	156	-	16-25	-
Rattus norvegicus	-	83-171	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	51860
ChEMBL	CHEMBL827
DrugBank	DB06701
DrugCentral	836
FDA SRS	M32RH9MFGP
Human Metabolome Database	HMDB0015647
Guide to Pharmacology	7554
PubChem	154101
SureChEMBL	SCHEMBL34326
ZINC	ZINC000000896711

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...

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Last update: Monday, 3 November 2025

DEXMETHYLPHENIDATE

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Physicochemical Descriptors

Pharmacology

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