Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1397)
Drug Name
Rasagiline mesylate
Synonyms
Rasagiline (mesylate); Rasagiline mesilate; Rasagiline mesylate; Rasagiline mesylate (USAN); Rasagiline mesylate [USAN]; Rasagiline methanesulfonate; TVP 1012; TVP-1012; UNII-LH8C2JI290; (R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine methanesulfonate; (R)-N-2-Propynyl-1-indanamine methanesulfonate; 161735-79-1; 1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (R)-, methanesulfonate; Agilect; Azilect; DSSTox_CID_27826; LH8C2JI290; MFCD08460604; N-Propargyl-1(R)-aminoindan methanesulfonate; NCGC00168774-01
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 267.35 Topological Polar Surface Area 74.8
Heavy Atom Count 18 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
3052775
CAS Number
161735-79-1
TTD Drug ID
D06OMW
Formula
C13H17NO3S
Canonical SMILES
CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12
InChI
1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
InChIKey
JDBJJCWRXSVHOQ-UTONKHPSSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
1-aminoindan DM015141
123445
Oxidation - N-dealkylation 1 [3]
3-hydroxy-N-propargyl-1 aminoindan DM016357
78121525
Oxidation - Hydroxylation 1 [3]
Unclear DM009999 N. A. Unclear - Unclear 1 [4]
3-hydroxy-1-aminoindan DM015542
9855521
Oxidation - Hydroxylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009510 Rasagiline mesylate 1-aminoindan Oxidation - N-dealkylation Unclear [3]
MR009512 Rasagiline mesylate 3-hydroxy-N-propargyl-1 aminoindan Oxidation - Hydroxylation Unclear [3]
MR009513 Rasagiline mesylate Unclear Unclear - Unclear CYP1A2 [4]
MR009511 1-aminoindan 3-hydroxy-1-aminoindan Oxidation - Hydroxylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Rasagiline Mesylate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Rasagiline (TVP-1012): a new selective monoamine oxidase inhibitor for Parkinson's disease. Am J Geriatr Pharmacother. 2006 Dec;4(4):330-46.
3 Simultaneous bioanalysis of rasagiline and its major metabolites in human plasma by LC-MS/MS: Application to a clinical pharmacokinetic study
4 Pharmacokinetic interaction study between flavanones (hesperetin, naringenin) and rasagiline mesylate in wistar rats

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