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

General Information of Drug (ID: DR1440)
Drug Name
Ropinirole hydrochloride
Synonyms
Ropinirole (hydrochloride); Ropinirole HCl; Ropinirole hydrochloride; Ropinirole hydrochloride [USAN:USP]; Ropinirol [INN-Spanish]; Ropinirole [INN:BAN]; Ropinirolum; Ropinirolum [INN-Latin]; Ropitor (TN); SK&F 101468; SKF 101468; UHSKFQJFRQCDBE-UHFFFAOYSA-N; UNII-030PYR8953; ropinirol; ropinirole; 030PYR8953; 2H-Indol-2-one, 4-(2-(dipropylamino)ethyl)-1,3-dihydro-; 4-(2-(dipropylamino)ethyl)indolin-2-one; 4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one; 4-[2-(dipropylamino)ethyl]indolin-2-one; 91374-21-9; CHEBI:8888; CHEMBL589; DSSTox_CID_25195; DSSTox_GSID_45195; DSSTox_RID_80742; NCGC00015893-02; SK&F 101468-A; SK&F-101468A; SKF 101468 hydrochloride; SKF-101468A; UNII-D7ZD41RZI9; 1,3-Dihydro-4-(2-(dipropylamino)ethyl)-2H-indol-2-one monohydrochloride; 4-(2-(Dipropylamino)ethyl)-2-indolinone monohydrochloride; 4-(2-(Dipropylamino)ethyl)indolin-2-one hydrochloride; 4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one hydrochloride; 91374-20-8; D7ZD41RZI9; MFCD01754173; ReQuip XL
Indication Parkinsonism [ICD11: 8A00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 296.83 Topological Polar Surface Area 32.299
Heavy Atom Count 20 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
68727
ChEBI ID
CHEBI:8889
CAS Number
91374-20-8
TTD Drug ID
D0R9EQ
Formula
C16H25ClN2O
Canonical SMILES
CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1.Cl
InChI
1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
InChIKey
XDXHAEQXIBQUEZ-UHFFFAOYSA-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
SK&F-104557 DM017921 N. A. Oxidation - N-despropylation 1 [4] , [5]
SK&F-104557-Carbamyl Glucuronide DM017923 N. A. Conjugation - Glucuronidation 1 [4]
SK&F-97930 DM015869
14367236
Unclear - Unclear 1 [4]
SK&F-96990 DM015634
10243126
Other reaction - Hydoxylation 2 [4]
SK&F-96990-Glucuronide DM017922 N. A. Conjugation - Glucuronidation 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009563 Ropinirole hydrochloride SK&F-104557 Oxidation - N-despropylation CYP1A2 [4], [5]
MR009566 Ropinirole hydrochloride SK&F-104557-Carbamyl Glucuronide Conjugation - Glucuronidation Unclear [4]
MR009567 Ropinirole hydrochloride SK&F-97930 Unclear - Unclear Unclear [4]
MR009564 SK&F-104557 SK&F-96990 Other reaction - Hydoxylation Unclear [4]
MR009565 SK&F-96990 SK&F-96990-Glucuronide Conjugation - Glucuronidation Unclear [4]
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]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Ropinirole Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.
3 In vitro identification of the P450 enzymes responsible for the metabolism of ropinirole. Drug Metab Dispos. 1997 Jul;25(7):840-4.
4 Disposition of ropinirole in animals and man
5 Isolation and identification of major urinary metabolites of rifabutin in rats and humans

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