Details of the Drug

General Information of Drug (ID: DM6034S)

Drug Name
Selegiline
Synonyms
selegiline; L-Deprenalin; Emsam; (-)-selegiline; Selegilinum; Selegilina; Carbex; 14611-51-9; Selegilinum [INN-Latin]; Selegilina [INN-Spanish]; UNII-2K1V7GP655; l-E 250; CHEMBL972; CHEBI:9086; N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine; 2K1V7GP655; (R)-(-)-N,alpha-Dimethyl-N-2-propinylphenethylamine; Benzeneethanamine, N,alpha-dimethyl-N-2-propynyl-, (R)-; selgene; (R)-(-)-N-Methyl-N-(1-phenyl-2-propyl)-2-propinylamin; Selegyline; Zalapar; Selegiline (transdermal, Parkinson's/depression); Zunrisa/Rezonic
Indication
Disease Entry ICD 11 Status REF
Major depressive disorder 6A70.3 Approved [1]
Skin imperfections EK71 Patented [2]
Chemotherapy-induced nausea MD90 Discontinued in Phase 3 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 187.28
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
ADMET Property
Absorption
The drug is rapidly absorbed from the gastrointestinal tract []
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
Clearance
The drug present in the plasma can be removed from the body at the rate of 20 mL/min/kg [5]
Elimination
0.1% of drug is excreted from urine in the unchanged form [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.2 - 2 hours [5]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.89168 micromolar/kg/day [6]
Unbound Fraction
The unbound fraction of drug in plasma is 0.13% [5]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.9 L/kg [5]
Chemical Identifiers
Formula
C13H17N
IUPAC Name
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
Canonical SMILES
C[C@H](CC1=CC=CC=C1)N(C)CC#C
InChI
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChIKey
MEZLKOACVSPNER-GFCCVEGCSA-N
Cross-matching ID
PubChem CID
26757
ChEBI ID
CHEBI:9086
CAS Number
14611-51-9
DrugBank ID
DB01037
TTD ID
D0S2UG
ACDINA ID
D00618
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase (MAO) TT32XQJ NOUNIPROTAC Inhibitor [2]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [7]
Substance-P receptor (TACR1) TTZPO1L NK1R_HUMAN Antagonist [8]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amine oxidase A (MAOA) OT8NIWMQ AOFA_HUMAN Gene/Protein Processing [9]
Amine oxidase B (MAOB) OTTDFM1O AOFB_HUMAN Gene/Protein Processing [10]
Cytochrome P450 1A2 (CYP1A2) OTLLBX48 CP1A2_HUMAN Regulation of Drug Effects [11]
Cytochrome P450 2B6 (CYP2B6) OTOYO4S7 CP2B6_HUMAN Gene/Protein Processing [12]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Post-Translational Modifications [13]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Post-Translational Modifications [13]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Post-Translational Modifications [13]
Thioredoxin OT6XU6VW THIO_HUMAN Gene/Protein Processing [13]
Transcription factor Jun (JUN) OTCYBO6X JUN_HUMAN Gene/Protein Processing [13]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Major depressive disorder
ICD Disease Classification 6A70.3
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
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 Selegiline
DDI Drug Name DDI Drug ID Severity Mechanism Disease REF
Sertraline DM0FB1J Major Additive serotonergic effects by the combination of Selegiline and Sertraline. Depression [6A70-6A7Z] [14]
Vilazodone DM4LECQ Major Additive serotonergic effects by the combination of Selegiline and Vilazodone. Depression [6A70-6A7Z] [15]
Nefazodone DM4ZS8M Major Additive serotonergic effects by the combination of Selegiline and Nefazodone. Depression [6A70-6A7Z] [15]
Vortioxetine DM6F1PU Major Additive serotonergic effects by the combination of Selegiline and Vortioxetine. Depression [6A70-6A7Z] [14]
Milnacipran DMBFE74 Major Additive serotonergic effects by the combination of Selegiline and Milnacipran. Depression [6A70-6A7Z] [15]
Escitalopram DMFK9HG Major Additive serotonergic effects by the combination of Selegiline and Escitalopram. Depression [6A70-6A7Z] [14]
Desvenlafaxine DMHD4PE Major Additive serotonergic effects by the combination of Selegiline and Desvenlafaxine. Depression [6A70-6A7Z] [15]
Clomipramine DMINRKW Major Additive serotonergic effects by the combination of Selegiline and Clomipramine. Depression [6A70-6A7Z] [16]
Doxepin DMPI98T Major Additive serotonergic effects by the combination of Selegiline and Doxepin. Depression [6A70-6A7Z] [16]
Esketamine DMVU687 Major Additive hypertensive effects by the combination of Selegiline and Esketamine. Depression [6A70-6A7Z] [17]
⏷ Show the Full List of 10 DDI Information of This Drug
Coadministration of a Drug Treating the Disease Different from Selegiline (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Methylene blue DMJAPE7 Major Additive serotonergic effects by the combination of Selegiline and Methylene blue. Acquired methaemoglobinaemia [3A93] [16]
Insulin-glulisine DMQI0FU Moderate Increased risk of hypoglycemia by the combination of Selegiline and Insulin-glulisine. Acute diabete complication [5A2Y] [18]
Insulin-aspart DMX7V28 Moderate Increased risk of hypoglycemia by the combination of Selegiline and Insulin-aspart. Acute diabete complication [5A2Y] [19]
Glipizide DMZA5PQ Moderate Increased risk of hypoglycemia by the combination of Selegiline and Glipizide. Acute diabete complication [5A2Y] [18]
Trimethaphan DMHF4IQ Moderate Additive hypotensive effects by the combination of Selegiline and Trimethaphan. Aneurysm/dissection [BD50] [20]
Bepridil DM0RKS4 Moderate Additive hypotensive effects by the combination of Selegiline and Bepridil. Angina pectoris [BA40] [21]
Amyl nitrite DMJKO05 Moderate Additive hypotensive effects by the combination of Selegiline and Amyl nitrite. Angina pectoris [BA40] [21]
Nifedipine DMSVOZT Moderate Additive hypotensive effects by the combination of Selegiline and Nifedipine. Angina pectoris [BA40] [21]
Levalbuterol DM5YBO1 Moderate Additive hypertensive effects by the combination of Selegiline and Levalbuterol. Asthma [CA23] [22]
Pirbuterol DMI5678 Moderate Additive hypertensive effects by the combination of Selegiline and Pirbuterol. Asthma [CA23] [23]
Ephedrine DMMV0KW Major Increased risk of hyperpyrexia by the combination of Selegiline and Ephedrine. Asthma [CA23] [21]
Lisdexamfetamine DM6W8V5 Major Additive hypertensive effects by the combination of Selegiline and Lisdexamfetamine. Attention deficit hyperactivity disorder [6A05] [21]
Desipramine DMT2FDC Major Additive serotonergic effects by the combination of Selegiline and Desipramine. Attention deficit hyperactivity disorder [6A05] [16]
Alpelisib DMEXMYK Moderate Increased metabolism of Selegiline caused by Alpelisib mediated induction of CYP450 enzyme. Breast cancer [2C60-2C6Y] [24]
Olodaterol DM62B78 Moderate Additive hypertensive effects by the combination of Selegiline and Olodaterol. Chronic obstructive pulmonary disease [CA22] [23]
Vilanterol DMF5EK1 Moderate Additive hypertensive effects by the combination of Selegiline and Vilanterol. Chronic obstructive pulmonary disease [CA22] [22]
Indacaterol DMQJHR7 Moderate Additive hypertensive effects by the combination of Selegiline and Indacaterol. Chronic obstructive pulmonary disease [CA22] [23]
Arformoterol DMYM974 Moderate Additive hypertensive effects by the combination of Selegiline and Arformoterol. Chronic obstructive pulmonary disease [CA22] [23]
Dihydrocodeine DMB0FWL Major Additive serotonergic effects by the combination of Selegiline and Dihydrocodeine. Chronic pain [MG30] [17]
Levomilnacipran DMV26S8 Major Additive serotonergic effects by the combination of Selegiline and Levomilnacipran. Chronic pain [MG30] [15]
Isoproterenol DMK7MEY Moderate Additive hypertensive effects by the combination of Selegiline and Isoproterenol. Conduction disorder [BC63] [22]
Levonorgestrel DM1DP7T Moderate Decreased metabolism of Selegiline caused by Levonorgestrel mediated inhibition of CYP450 enzyme. Contraceptive management [QA21] [25]
Lumacaftor DMCLWDJ Moderate Increased metabolism of Selegiline caused by Lumacaftor mediated induction of CYP450 enzyme. Cystic fibrosis [CA25] [26]
Cyclandelate DMO0R76 Moderate Additive hypotensive effects by the combination of Selegiline and Cyclandelate. Dementia [6D80-6D8Z] [21]
5-hydroxy-L-tryptophan DMDWZGJ Major Additive serotonergic effects by the combination of Selegiline and 5-hydroxy-L-tryptophan. Discovery agent [N.A.] [27]
LEVONORDEFRIN DMWDJ0H Moderate Additive hypertensive effects by the combination of Selegiline and LEVONORDEFRIN. Discovery agent [N.A.] [28]
Tetrabenazine DMYWQ0O Major Additive hypertensive effects by the combination of Selegiline and Tetrabenazine. Dissociative neurological symptom disorder [6B60] [29]
Deutetrabenazine DMUPFLI Major Additive hypertensive effects by the combination of Selegiline and Deutetrabenazine. Dystonic disorder [8A02] [29]
Cenobamate DM8KLU9 Moderate Increased metabolism of Selegiline caused by Cenobamate mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [30]
Guanethidine DM9NSWT Moderate Antagonize the effect of Selegiline when combined with Guanethidine. Essential hypertension [BA00] [31]
Mephentermine DMFJH5Q Major Increased risk of hyperpyrexia by the combination of Selegiline and Mephentermine. Essential hypertension [BA00] [21]
Nesiritide DMFOIA8 Moderate Additive hypotensive effects by the combination of Selegiline and Nesiritide. Heart failure [BD10-BD1Z] [21]
Tetrahydrozoline DMT57WC Moderate Decreased metabolism of Selegiline caused by Tetrahydrozoline mediated inhibition of non-CYP450 enzyme. Herpes simplex infection [1F00] [32]
Maraviroc DMTL94F Moderate Additive hypotensive effects by the combination of Selegiline and Maraviroc. Human immunodeficiency virus disease [1C60-1C62] [21]
Aliskiren DM1BV7W Moderate Additive hypotensive effects by the combination of Selegiline and Aliskiren. Hypertension [BA00-BA04] [21]
Captopril DM458UM Moderate Additive hypotensive effects by the combination of Selegiline and Captopril. Hypertension [BA00-BA04] [21]
Levamlodipine DM92S6N Moderate Additive hypotensive effects by the combination of Selegiline and Levamlodipine. Hypertension [BA00-BA04] [21]
TAK-491 DMCF6SX Moderate Additive hypotensive effects by the combination of Selegiline and TAK-491. Hypertension [BA00-BA04] [21]
Diazoxide DML1538 Moderate Additive hypotensive effects by the combination of Selegiline and Diazoxide. Hypertension [BA00-BA04] [21]
Deserpidine DMRH7CV Moderate Additive hypertensive effects by the combination of Selegiline and Deserpidine. Hypertension [BA00-BA04] [33]
Hydralazine DMU8JGH Moderate Additive hypotensive effects by the combination of Selegiline and Hydralazine. Hypertension [BA00-BA04] [21]
Clevidipine butyrate DMW4M97 Moderate Additive hypotensive effects by the combination of Selegiline and Clevidipine butyrate. Hypertension [BA00-BA04] [21]
Naphazoline DMJFZDL Moderate Decreased metabolism of Selegiline caused by Naphazoline mediated inhibition of non-CYP450 enzyme. Itching [1F28-1G07] [32]
Glycerol phenylbutyrate DMDGRQO Moderate Decreased metabolism of Selegiline caused by Glycerol phenylbutyrate mediated inhibition of CYP450 enzyme. Liver disease [DB90-DB9Z] [24]
Crizotinib DM4F29C Moderate Decreased metabolism of Selegiline caused by Crizotinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [17]
PF-06463922 DMKM7EW Moderate Increased metabolism of Selegiline caused by PF-06463922 mediated induction of CYP450 enzyme. Lung cancer [2C25] [24]
Dabrafenib DMX6OE3 Moderate Increased metabolism of Selegiline caused by Dabrafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [24]
Allopregnanolone DMNLHAC Moderate Additive CNS depression effects by the combination of Selegiline and Allopregnanolone. Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z] [34]
Lasmiditan DMXLVDT Major Additive serotonergic effects by the combination of Selegiline and Lasmiditan. Migraine [8A80] [15]
Ozanimod DMT6AM2 Major Decreased metabolism of Selegiline caused by Ozanimod mediated inhibition of non-CYP450 enzyme. Multiple sclerosis [8A40] [35]
Prasugrel DM7MT6E Minor Decreased metabolism of Selegiline caused by Prasugrel mediated inhibition of CYP450 enzyme. Myocardial infarction [BA41-BA43] [24]
Dextroamphetamine DMMIHVP Major Increased risk of hyperpyrexia by the combination of Selegiline and Dextroamphetamine. Narcolepsy [7A20] [21]
Promethazine DM6I5GR Moderate Additive hypotensive effects by the combination of Selegiline and Promethazine. Nausea/vomiting [MD90] [21]
Metoclopramide DMFA5MY Moderate Additive hypertensive effects by the combination of Selegiline and Metoclopramide. Nausea/vomiting [MD90] [36]
Phendimetrazine DM6TS1N Major Increased risk of hyperpyrexia by the combination of Selegiline and Phendimetrazine. Obesity [5B80-5B81] [21]
Sibutramine DMFJTDI Major Additive serotonergic effects by the combination of Selegiline and Sibutramine. Obesity [5B80-5B81] [15]
Dexfenfluramine DMJ7YDS Major Additive serotonergic effects by the combination of Selegiline and Dexfenfluramine. Obesity [5B80-5B81] [15]
Propylhexedrine DMTBW2O Moderate Decreased metabolism of Selegiline caused by Propylhexedrine mediated inhibition of non-CYP450 enzyme. Obesity [5B80-5B81] [32]
Polythiazide DMCH80F Moderate Additive hypotensive effects by the combination of Selegiline and Polythiazide. Oedema [MG29] [21]
Lofexidine DM1WXA6 Moderate Additive hypotensive effects by the combination of Selegiline and Lofexidine. Opioid use disorder [6C43] [21]
Olaparib DM8QB1D Moderate Increased metabolism of Selegiline caused by Olaparib mediated induction of CYP450 enzyme. Ovarian cancer [2C73] [17]
Abametapir DM2RX0I Moderate Decreased metabolism of Selegiline caused by Abametapir mediated inhibition of CYP450 enzyme. Pediculosis [1G00] [37]
Terazosin DM3JCVS Moderate Additive hypotensive effects by the combination of Selegiline and Terazosin. Prostate hyperplasia [GA90] [21]
Silodosin DMJSBT6 Moderate Additive hypotensive effects by the combination of Selegiline and Silodosin. Prostate hyperplasia [GA90] [21]
Levomepromazine DMIKFEL Moderate Additive CNS depression effects by the combination of Selegiline and Levomepromazine. Psychotic disorder [6A20-6A25] [21]
Selexipag DMAHSU0 Moderate Additive hypotensive effects by the combination of Selegiline and Selexipag. Pulmonary hypertension [BB01] [21]
Epoprostenol DMUTYR2 Moderate Additive hypotensive effects by the combination of Selegiline and Epoprostenol. Pulmonary hypertension [BB01] [21]
Iloprost DMVPZBE Moderate Additive hypotensive effects by the combination of Selegiline and Iloprost. Pulmonary hypertension [BB01] [21]
Avanafil DM75CXN Moderate Additive hypotensive effects by the combination of Selegiline and Avanafil. Sexual dysfunction [HA00-HA01] [21]
Telotristat ethyl DMDIYFZ Moderate Increased metabolism of Selegiline caused by Telotristat ethyl mediated induction of CYP450 enzyme. Small intestine developmental anomaly [DA90] [24]
Pitolisant DM8RFNJ Moderate Increased metabolism of Selegiline caused by Pitolisant mediated induction of CYP450 enzyme. Somnolence [MG42] [24]
Papaverine DMCA9QP Moderate Additive hypotensive effects by the combination of Selegiline and Papaverine. Tonus and reflex abnormality [MB47] [21]
Tolbutamide DM02AWV Moderate Increased risk of hypoglycemia by the combination of Selegiline and Tolbutamide. Type 2 diabetes mellitus [5A11] [18]
Insulin-detemir DMOA4VW Moderate Increased risk of hypoglycemia by the combination of Selegiline and Insulin-detemir. Type-1/2 diabete [5A10-5A11] [18]
Insulin degludec DMPL395 Moderate Increased risk of hypoglycemia by the combination of Selegiline and Insulin degludec. Type-1/2 diabete [5A10-5A11] [18]
Trimeprazine DMEMV9D Moderate Additive hypotensive effects by the combination of Selegiline and Trimeprazine. Vasomotor/allergic rhinitis [CA08] [28]
Xylometazoline DMKV32D Moderate Decreased metabolism of Selegiline caused by Xylometazoline mediated inhibition of non-CYP450 enzyme. Vasomotor/allergic rhinitis [CA08] [32]
⏷ Show the Full List of 77 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Aspartame E00402 134601 Flavoring agent
FD&C blue no. 1 E00263 19700 Colorant
Isopropyl alcohol E00070 3776 Antimicrobial preservative; Solvent
Kyselina citronova E00014 311 Acidulant; Antioxidant; Buffering agent; Complexing agent; Flavoring agent
Mannitol E00103 6251 Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Stearic acid E00079 5281 Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
Ammonia E00007 222 Alkalizing agent
Beta-D-lactose E00099 6134 Diluent; Dry powder inhaler carrier; Lyophilization aid
Butyl alcohol E00011 263 Flavoring agent; Solvent
Citric acid monohydrate E00271 22230 Acidulant; Antioxidant; Buffering agent; Complexing agent; Flavoring agent
Eisenoxyd E00585 56841934 Colorant
Ferric hydroxide oxide yellow E00539 23320441 Colorant
Ferrosoferric oxide E00231 14789 Colorant
Glycerin E00026 753 Antimicrobial preservative; Emollient; Flavoring agent; Humectant; Lubricant; Plasticizing agent; Solvent; Suppository base; Tonicity agent; Viscosity-controlling agent
Lactose monohydrate E00393 104938 Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate E00208 11177 lubricant
Potassium hydroxide E00233 14797 Alkalizing agent
Propylene glycol E00040 1030 Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
Water E00035 962 Solvent
⏷ Show the Full List of 21 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Selegiline 5 mg capsule 5 mg Oral Capsule Oral
Selegiline 1.25 mg tablet 1.25 mg Disintegrating Oral Tablet Oral
Selegiline 5 mg tablet 5 mg Oral Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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