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], [2]
Skin imperfections	EK71	Patented	[3]
Chemotherapy-induced nausea	MD90	Discontinued in Phase 3	[4]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

187.28

Topological Polar Surface Area (xlogp)

2.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is rapidly absorbed from the gastrointestinal tract [5]
BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [6]
Clearance: The drug present in the plasma can be removed from the body at the rate of 20 mL/min/kg [7]
Elimination: 0.1% of drug is excreted from urine in the unchanged form [6]
Half-life: The concentration or amount of drug in body reduced by one-half in 1.2 - 2 hours [7]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.89168 micromolar/kg/day [8]
Unbound Fraction: The unbound fraction of drug in plasma is 0.13% [7]
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 [7]

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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase (MAO)	TT32XQJ	NOUNIPROTAC	Inhibitor	[3]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[9]
Substance-P receptor (TACR1)	TTZPO1L	NK1R_HUMAN	Antagonist	[10]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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]	[32]
Vilazodone	DM4LECQ	Major	Additive serotonergic effects by the combination of Selegiline and Vilazodone.	Depression [6A70-6A7Z]	[33]
Nefazodone	DM4ZS8M	Major	Additive serotonergic effects by the combination of Selegiline and Nefazodone.	Depression [6A70-6A7Z]	[33]
Vortioxetine	DM6F1PU	Major	Additive serotonergic effects by the combination of Selegiline and Vortioxetine.	Depression [6A70-6A7Z]	[32]
Milnacipran	DMBFE74	Major	Additive serotonergic effects by the combination of Selegiline and Milnacipran.	Depression [6A70-6A7Z]	[33]
Escitalopram	DMFK9HG	Major	Additive serotonergic effects by the combination of Selegiline and Escitalopram.	Depression [6A70-6A7Z]	[32]
Desvenlafaxine	DMHD4PE	Major	Additive serotonergic effects by the combination of Selegiline and Desvenlafaxine.	Depression [6A70-6A7Z]	[33]
Clomipramine	DMINRKW	Major	Additive serotonergic effects by the combination of Selegiline and Clomipramine.	Depression [6A70-6A7Z]	[34]
Doxepin	DMPI98T	Major	Additive serotonergic effects by the combination of Selegiline and Doxepin.	Depression [6A70-6A7Z]	[34]
Esketamine	DMVU687	Major	Additive hypertensive effects by the combination of Selegiline and Esketamine.	Depression [6A70-6A7Z]	[35]
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⏷ 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]	[34]
Insulin-glulisine	DMQI0FU	Moderate	Increased risk of hypoglycemia by the combination of Selegiline and Insulin-glulisine.	Acute diabete complication [5A2Y]	[36]
Insulin-aspart	DMX7V28	Moderate	Increased risk of hypoglycemia by the combination of Selegiline and Insulin-aspart.	Acute diabete complication [5A2Y]	[37]
Glipizide	DMZA5PQ	Moderate	Increased risk of hypoglycemia by the combination of Selegiline and Glipizide.	Acute diabete complication [5A2Y]	[36]
Trimethaphan	DMHF4IQ	Moderate	Additive hypotensive effects by the combination of Selegiline and Trimethaphan.	Aneurysm/dissection [BD50]	[38]
Bepridil	DM0RKS4	Moderate	Additive hypotensive effects by the combination of Selegiline and Bepridil.	Angina pectoris [BA40]	[39]
Amyl nitrite	DMJKO05	Moderate	Additive hypotensive effects by the combination of Selegiline and Amyl nitrite.	Angina pectoris [BA40]	[39]
Nifedipine	DMSVOZT	Moderate	Additive hypotensive effects by the combination of Selegiline and Nifedipine.	Angina pectoris [BA40]	[39]
Levalbuterol	DM5YBO1	Moderate	Additive hypertensive effects by the combination of Selegiline and Levalbuterol.	Asthma [CA23]	[40]
Pirbuterol	DMI5678	Moderate	Additive hypertensive effects by the combination of Selegiline and Pirbuterol.	Asthma [CA23]	[41]
Ephedrine	DMMV0KW	Major	Increased risk of hyperpyrexia by the combination of Selegiline and Ephedrine.	Asthma [CA23]	[39]
Lisdexamfetamine	DM6W8V5	Major	Additive hypertensive effects by the combination of Selegiline and Lisdexamfetamine.	Attention deficit hyperactivity disorder [6A05]	[39]
Desipramine	DMT2FDC	Major	Additive serotonergic effects by the combination of Selegiline and Desipramine.	Attention deficit hyperactivity disorder [6A05]	[34]
Alpelisib	DMEXMYK	Moderate	Increased metabolism of Selegiline caused by Alpelisib mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[42]
Olodaterol	DM62B78	Moderate	Additive hypertensive effects by the combination of Selegiline and Olodaterol.	Chronic obstructive pulmonary disease [CA22]	[41]
Vilanterol	DMF5EK1	Moderate	Additive hypertensive effects by the combination of Selegiline and Vilanterol.	Chronic obstructive pulmonary disease [CA22]	[40]
Indacaterol	DMQJHR7	Moderate	Additive hypertensive effects by the combination of Selegiline and Indacaterol.	Chronic obstructive pulmonary disease [CA22]	[41]
Arformoterol	DMYM974	Moderate	Additive hypertensive effects by the combination of Selegiline and Arformoterol.	Chronic obstructive pulmonary disease [CA22]	[41]
Dihydrocodeine	DMB0FWL	Major	Additive serotonergic effects by the combination of Selegiline and Dihydrocodeine.	Chronic pain [MG30]	[35]
Levomilnacipran	DMV26S8	Major	Additive serotonergic effects by the combination of Selegiline and Levomilnacipran.	Chronic pain [MG30]	[33]
Isoproterenol	DMK7MEY	Moderate	Additive hypertensive effects by the combination of Selegiline and Isoproterenol.	Conduction disorder [BC63]	[40]
Levonorgestrel	DM1DP7T	Moderate	Decreased metabolism of Selegiline caused by Levonorgestrel mediated inhibition of CYP450 enzyme.	Contraceptive management [QA21]	[43]
Lumacaftor	DMCLWDJ	Moderate	Increased metabolism of Selegiline caused by Lumacaftor mediated induction of CYP450 enzyme.	Cystic fibrosis [CA25]	[44]
Cyclandelate	DMO0R76	Moderate	Additive hypotensive effects by the combination of Selegiline and Cyclandelate.	Dementia [6D80-6D8Z]	[39]
5-hydroxy-L-tryptophan	DMDWZGJ	Major	Additive serotonergic effects by the combination of Selegiline and 5-hydroxy-L-tryptophan.	Discovery agent [N.A.]	[45]
LEVONORDEFRIN	DMWDJ0H	Moderate	Additive hypertensive effects by the combination of Selegiline and LEVONORDEFRIN.	Discovery agent [N.A.]	[46]
Tetrabenazine	DMYWQ0O	Major	Additive hypertensive effects by the combination of Selegiline and Tetrabenazine.	Dissociative neurological symptom disorder [6B60]	[47]
Deutetrabenazine	DMUPFLI	Major	Additive hypertensive effects by the combination of Selegiline and Deutetrabenazine.	Dystonic disorder [8A02]	[47]
Cenobamate	DMGOVHA	Moderate	Increased metabolism of Selegiline caused by Cenobamate mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[48]
Guanethidine	DM9NSWT	Moderate	Antagonize the effect of Selegiline when combined with Guanethidine.	Essential hypertension [BA00]	[49]
Mephentermine	DMFJH5Q	Major	Increased risk of hyperpyrexia by the combination of Selegiline and Mephentermine.	Essential hypertension [BA00]	[39]
Nesiritide	DMFOIA8	Moderate	Additive hypotensive effects by the combination of Selegiline and Nesiritide.	Heart failure [BD10-BD1Z]	[39]
Tetrahydrozoline	DMT57WC	Moderate	Decreased metabolism of Selegiline caused by Tetrahydrozoline mediated inhibition of non-CYP450 enzyme.	Herpes simplex infection [1F00]	[50]
Maraviroc	DMTL94F	Moderate	Additive hypotensive effects by the combination of Selegiline and Maraviroc.	Human immunodeficiency virus disease [1C60-1C62]	[39]
Aliskiren	DM1BV7W	Moderate	Additive hypotensive effects by the combination of Selegiline and Aliskiren.	Hypertension [BA00-BA04]	[39]
Captopril	DM458UM	Moderate	Additive hypotensive effects by the combination of Selegiline and Captopril.	Hypertension [BA00-BA04]	[39]
Levamlodipine	DM92S6N	Moderate	Additive hypotensive effects by the combination of Selegiline and Levamlodipine.	Hypertension [BA00-BA04]	[39]
TAK-491	DMCF6SX	Moderate	Additive hypotensive effects by the combination of Selegiline and TAK-491.	Hypertension [BA00-BA04]	[39]
Diazoxide	DML1538	Moderate	Additive hypotensive effects by the combination of Selegiline and Diazoxide.	Hypertension [BA00-BA04]	[39]
Deserpidine	DMRH7CV	Moderate	Additive hypertensive effects by the combination of Selegiline and Deserpidine.	Hypertension [BA00-BA04]	[51]
Hydralazine	DMU8JGH	Moderate	Additive hypotensive effects by the combination of Selegiline and Hydralazine.	Hypertension [BA00-BA04]	[39]
Clevidipine butyrate	DMW4M97	Moderate	Additive hypotensive effects by the combination of Selegiline and Clevidipine butyrate.	Hypertension [BA00-BA04]	[39]
Naphazoline	DMJFZDL	Moderate	Decreased metabolism of Selegiline caused by Naphazoline mediated inhibition of non-CYP450 enzyme.	Itching [1F28-1G07]	[50]
Glycerol phenylbutyrate	DMDGRQO	Moderate	Decreased metabolism of Selegiline caused by Glycerol phenylbutyrate mediated inhibition of CYP450 enzyme.	Liver disease [DB90-DB9Z]	[42]
Crizotinib	DM4F29C	Moderate	Decreased metabolism of Selegiline caused by Crizotinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[35]
PF-06463922	DMKM7EW	Moderate	Increased metabolism of Selegiline caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[42]
Dabrafenib	DMX6OE3	Moderate	Increased metabolism of Selegiline caused by Dabrafenib mediated induction of CYP450 enzyme.	Melanoma [2C30]	[42]
Allopregnanolone	DMNLHAC	Moderate	Additive CNS depression effects by the combination of Selegiline and Allopregnanolone.	Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z]	[52]
Lasmiditan	DMXLVDT	Major	Additive serotonergic effects by the combination of Selegiline and Lasmiditan.	Migraine [8A80]	[33]
Ozanimod	DMT6AM2	Major	Decreased metabolism of Selegiline caused by Ozanimod mediated inhibition of non-CYP450 enzyme.	Multiple sclerosis [8A40]	[53]
Prasugrel	DM7MT6E	Minor	Decreased metabolism of Selegiline caused by Prasugrel mediated inhibition of CYP450 enzyme.	Myocardial infarction [BA41-BA43]	[42]
Dextroamphetamine	DMMIHVP	Major	Increased risk of hyperpyrexia by the combination of Selegiline and Dextroamphetamine.	Narcolepsy [7A20]	[39]
Promethazine	DM6I5GR	Moderate	Additive hypotensive effects by the combination of Selegiline and Promethazine.	Nausea/vomiting [MD90]	[39]
Metoclopramide	DMFA5MY	Moderate	Additive hypertensive effects by the combination of Selegiline and Metoclopramide.	Nausea/vomiting [MD90]	[54]
Phendimetrazine	DM6TS1N	Major	Increased risk of hyperpyrexia by the combination of Selegiline and Phendimetrazine.	Obesity [5B80-5B81]	[39]
Sibutramine	DMFJTDI	Major	Additive serotonergic effects by the combination of Selegiline and Sibutramine.	Obesity [5B80-5B81]	[33]
Dexfenfluramine	DMJ7YDS	Major	Additive serotonergic effects by the combination of Selegiline and Dexfenfluramine.	Obesity [5B80-5B81]	[33]
Propylhexedrine	DMTBW2O	Moderate	Decreased metabolism of Selegiline caused by Propylhexedrine mediated inhibition of non-CYP450 enzyme.	Obesity [5B80-5B81]	[50]
Polythiazide	DMCH80F	Moderate	Additive hypotensive effects by the combination of Selegiline and Polythiazide.	Oedema [MG29]	[39]
Lofexidine	DM1WXA6	Moderate	Additive hypotensive effects by the combination of Selegiline and Lofexidine.	Opioid use disorder [6C43]	[39]
Olaparib	DM8QB1D	Moderate	Increased metabolism of Selegiline caused by Olaparib mediated induction of CYP450 enzyme.	Ovarian cancer [2C73]	[35]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Selegiline caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[55]
Terazosin	DM3JCVS	Moderate	Additive hypotensive effects by the combination of Selegiline and Terazosin.	Prostate hyperplasia [GA90]	[39]
Silodosin	DMJSBT6	Moderate	Additive hypotensive effects by the combination of Selegiline and Silodosin.	Prostate hyperplasia [GA90]	[39]
Levomepromazine	DMIKFEL	Moderate	Additive CNS depression effects by the combination of Selegiline and Levomepromazine.	Psychotic disorder [6A20-6A25]	[39]
Selexipag	DMAHSU0	Moderate	Additive hypotensive effects by the combination of Selegiline and Selexipag.	Pulmonary hypertension [BB01]	[39]
Epoprostenol	DMUTYR2	Moderate	Additive hypotensive effects by the combination of Selegiline and Epoprostenol.	Pulmonary hypertension [BB01]	[39]
Iloprost	DMVPZBE	Moderate	Additive hypotensive effects by the combination of Selegiline and Iloprost.	Pulmonary hypertension [BB01]	[39]
Avanafil	DM75CXN	Moderate	Additive hypotensive effects by the combination of Selegiline and Avanafil.	Sexual dysfunction [HA00-HA01]	[39]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Selegiline caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[42]
Pitolisant	DM8RFNJ	Moderate	Increased metabolism of Selegiline caused by Pitolisant mediated induction of CYP450 enzyme.	Somnolence [MG42]	[42]
Papaverine	DMCA9QP	Moderate	Additive hypotensive effects by the combination of Selegiline and Papaverine.	Tonus and reflex abnormality [MB47]	[39]
Tolbutamide	DM02AWV	Moderate	Increased risk of hypoglycemia by the combination of Selegiline and Tolbutamide.	Type 2 diabetes mellitus [5A11]	[36]
Insulin-detemir	DMOA4VW	Moderate	Increased risk of hypoglycemia by the combination of Selegiline and Insulin-detemir.	Type-1/2 diabete [5A10-5A11]	[36]
Insulin degludec	DMPL395	Moderate	Increased risk of hypoglycemia by the combination of Selegiline and Insulin degludec.	Type-1/2 diabete [5A10-5A11]	[36]
Trimeprazine	DMEMV9D	Moderate	Additive hypotensive effects by the combination of Selegiline and Trimeprazine.	Vasomotor/allergic rhinitis [CA08]	[46]
Xylometazoline	DMKV32D	Moderate	Decreased metabolism of Selegiline caused by Xylometazoline mediated inhibition of non-CYP450 enzyme.	Vasomotor/allergic rhinitis [CA08]	[50]
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⏷ 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
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⏷ 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

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