DEXMETHYLPHENIDATE HYDROCHLORIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4B3SC438HI
Parent Compound: DEXMETHYLPHENIDATE

Structure

InChI Key JUMYIBMBTDDLNG-OJERSXHUSA-N
Smiles COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.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

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20ClNO2
Molecular Weight 269.77
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

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 83-164 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 230 - 74.6-270 14
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 230 - 74.6-270 14

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
ChEMBL CHEMBL904
FDA SRS 4B3SC438HI
PubChem 154100
SureChEMBL SCHEMBL1649811
CONTENTS