Details of the Drug

General Information of Drug (ID: DMN3E57)

Drug Name
Levodopa
Synonyms Levodopa (optimized formulation, Parkinson's disease); More effective levodopa (Parkinson's disease), Orion; Levodopa (optimized formulation, Parkinson's disease), Orion
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 197.19
Topological Polar Surface Area (xlogp) -2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 0.98 mcg/L [2]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 2.2 +/- 1.9 h [2]
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Clearance
The clearance of drug is 14.2 mL/min/kg in elderly patients [4]
Elimination
0.17% of an orally administered dose is recovered in stool, 0.28% is exhaled, and 78.4% is recovered in urine [5]
Half-life
The concentration or amount of drug in body reduced by one-half in 2.3 hours [6]
Metabolism
The drug is metabolized via the aromatic-L-amino-acid decarboxylase or O-methylated to 3-O-methyldopa by catechol-O-methyltransferase [7]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 674.46844 micromolar/kg/day [8]
Unbound Fraction
The unbound fraction of drug in plasma is 0.76% [9]
Vd
The volume of distribution (Vd) of drug is 168 L [10]
Water Solubility
The ability of drug to dissolve in water is measured as 1.65 mg/mL [3]
Chemical Identifiers
Formula
C9H11NO4
IUPAC Name
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
Canonical SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey
WTDRDQBEARUVNC-LURJTMIESA-N
Cross-matching ID
PubChem CID
6047
ChEBI ID
CHEBI:15765
CAS Number
59-92-7
DrugBank ID
DB01235
TTD ID
D08HVR
VARIDT ID
DR00125
INTEDE ID
DR0939

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
L-type amino acid transporter 1 (SLC7A5) DT48T0N LAT1_HUMAN Substrate [11]
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [12]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [13]
DOPA decarboxylase (DDC) DETK9CN DDC_HUMAN Substrate [14]
Thiopurine methyltransferase (TPMT) DEFQ8VO TPMT_HUMAN Substrate [15]
Tyrosine decarboxylase (tdc) DE3HL9N TYRDC_ENTFA Substrate [16], [17]
Tyrosine decarboxylase (tdc) DEX2ZLF TYRDC_LACBR Substrate [17]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
P-glycoprotein 1 (ABCB1) DTP P-GP 9.39E-02 1.07E-01 2.80E-01
L-type amino acid transporter 1 (SLC7A5) DTP LAT1 2.99E-01 1.73E-01 3.72E-01
DOPA decarboxylase (DDC) DME DDC 1.35E-03 -7.92E-02 -4.01E-01
Thiopurine methyltransferase (TPMT) DME TPMT 1.32E-01 -6.42E-02 -2.31E-01
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 7.30E-01 -1.91E-02 -1.41E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Levodopa
DDI Drug Name DDI Drug ID Severity Mechanism Disease REF
Opicapone DM1BKA6 Moderate Decreased metabolism of Levodopa caused by Opicapone mediated inhibition of non-CYP450 enzyme. Parkinsonism [8A00] [60]
Rasagiline DM3WKQ4 Moderate Additive dopaminergic effects by the combination of Levodopa and Rasagiline. Parkinsonism [8A00] [61]
Coadministration of a Drug Treating the Disease Different from Levodopa (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Sodium bicarbonate DMMU6BJ Minor Decreased absorption of Levodopa due to altered gastric pH caused by Sodium bicarbonate. Acidosis [5C73] [62]
Methylene blue DMJAPE7 Major Additive hypertensive effects by the combination of Levodopa and Methylene blue. Acquired methaemoglobinaemia [3A93] [63]
Citicoline DMI4XBM Minor Additive dopaminergic effects by the combination of Levodopa and Citicoline. Cerebral ischaemia [8B1Z] [64]
Isocarboxazid DMAF1NB Major Additive hypertensive effects by the combination of Levodopa and Isocarboxazid. Depression [6A70-6A7Z] [63]
OPC-34712 DMHG57U Moderate Additive CNS depression effects by the combination of Levodopa and OPC-34712. Depression [6A70-6A7Z] [65]
Clomipramine DMINRKW Minor Altered absorption of Levodopa due to GI dynamics variation caused by Clomipramine. Depression [6A70-6A7Z] [66]
Esketamine DMVU687 Moderate Additive CNS depression effects by the combination of Levodopa and Esketamine. Depression [6A70-6A7Z] [67]
Mepenzolate DM8YU2F Moderate Altered absorption of Levodopa due to GI dynamics variation caused by Mepenzolate. Digestive system disease [DE2Z] [68]
Tetrabenazine DMYWQ0O Moderate Antagonize the effect of Levodopa when combined with Tetrabenazine. Dissociative neurological symptom disorder [6B60] [69]
Solifenacin DMG592Q Moderate Altered absorption of Levodopa due to GI dynamics variation caused by Solifenacin. Functional bladder disorder [GC50] [68]
Brentuximab vedotin DMWLC57 Moderate Increased risk of peripheral neuropathy by the combination of Levodopa and Brentuximab vedotin. Hodgkin lymphoma [2B30] [70]
Belladonna DM2RBWK Moderate Altered absorption of Levodopa due to GI dynamics variation caused by Belladonna. Infectious gastroenteritis/colitis [1A40] [68]
ITI-007 DMUQ1DO Moderate Antagonize the effect of Levodopa when combined with ITI-007. Insomnia [7A00-7A0Z] [65]
Iron DMAP8MV Moderate Decreased absorption of Levodopa due to formation of complexes caused by Iron. Iron deficiency anaemia [3A00] [71]
Allopregnanolone DMNLHAC Moderate Additive CNS depression effects by the combination of Levodopa and Allopregnanolone. Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z] [72]
Lasmiditan DMXLVDT Moderate Additive CNS depression effects by the combination of Levodopa and Lasmiditan. Migraine [8A80] [73]
Flibanserin DM70DTN Moderate Additive CNS depression effects by the combination of Levodopa and Flibanserin. Mood disorder [6A60-6E23] [74]
Ozanimod DMT6AM2 Major Additive hypertensive effects by the combination of Levodopa and Ozanimod. Multiple sclerosis [8A40] [63]
Methylscopolamine DM5VWOB Moderate Altered absorption of Levodopa due to GI dynamics variation caused by Methylscopolamine. Peptic ulcer [DA61] [68]
Levomepromazine DMIKFEL Moderate Antagonize the effect of Levodopa when combined with Levomepromazine. Psychotic disorder [6A20-6A25] [65]
Aripiprazole DM3NUMH Moderate Additive hypotensive effects by the combination of Levodopa and Aripiprazole. Schizophrenia [6A20] [65]
Iloperidone DM6AUFY Moderate Antagonize the effect of Levodopa when combined with Iloperidone. Schizophrenia [6A20] [65]
Paliperidone DM7NPJS Moderate Antagonize the effect of Levodopa when combined with Paliperidone. Schizophrenia [6A20] [65]
Molindone DMAH70G Moderate Antagonize the effect of Levodopa when combined with Molindone. Schizophrenia [6A20] [65]
Thiothixene DMDINC4 Moderate Antagonize the effect of Levodopa when combined with Thiothixene. Schizophrenia [6A20] [65]
Amisulpride DMSJVAM Major Antagonize the effect of Levodopa when combined with Amisulpride. Schizophrenia [6A20] [67]
Asenapine DMSQZE2 Moderate Antagonize the effect of Levodopa when combined with Asenapine. Schizophrenia [6A20] [65]
Trimeprazine DMEMV9D Moderate Antagonize the effect of Levodopa when combined with Trimeprazine. Vasomotor/allergic rhinitis [CA08] [75]
⏷ Show the Full List of 28 DDI Information of This Drug

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