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

General Information of Drug (ID: DR1915)
Drug Name
Mosapride
Synonyms
Mosapride; Mosapride (INN); Mosapride [INN]; Q-201413; 112885-41-3; 4-amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide; 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide; 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-2-morpholinyl]methyl]benzamide; 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide; AK-41276; CHEMBL60889
Indication Postoperative ileus [ICD11: DA93] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 421.9 Topological Polar Surface Area 76.8
Heavy Atom Count 29 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
119584
PubChem SID
10238548 ; 14856046 ; 29216210 ; 29300427 ; 47434920 ; 48254040 ; 49875381 ; 50110109 ; 53346072 ; 57339567 ; 85209635 ; 90452581 ; 92720568 ; 93374710 ; 93626124 ; 96024924 ; 103250420 ; 103923914 ; 104408671 ; 117843401 ; 125324809 ; 125338080 ; 126607121 ; 126619873 ; 126648433 ; 126666115 ; 129828067 ; 131294814 ; 131294815 ; 131813325 ; 134340239 ; 135134188 ; 135650625 ; 135683234 ; 136373748 ; 137249282 ; 137541651 ; 143504192 ; 144108846 ; 160809785 ; 162035093 ; 162181032 ; 163088239 ; 164035874 ; 164175206 ; 164814860 ; 166236538 ; 172090760 ; 172842270 ; 174006284
ChEBI ID
CHEBI:94373
CAS Number
112885-41-3
TTD Drug ID
D06PZN
Formula
C21H25ClFN3O3
Canonical SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N
InChI
1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey
YPELFRMCRYSPKZ-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
Mosapride metabolite M1,Mosapride metabolite M2 DM002694 N. A. Unclear 1 [3]
Mosapride metabolite M10 DM002697 N. A. Unclear 1 [3]
Mosapride metabolite M12 DM002690
15145503
Unclear 1 [3]
Mosapride metabolite M13,Mosapride metabolite M14 DM002692 N. A. Unclear 1 [3]
Mosapride metabolite M15 DM002695
132082217
Unclear 1 [3]
Mosapride metabolite M16 DM002700
71750822
Unclear 1 [3]
Mosapride metabolite M3 DM002688
132935
Unclear 1 [3]
Mosapride metabolite M4 DM002696 N. A. Unclear 1 [3]
Mosapride metabolite M8 DM002698 N. A. Unclear 1 [3]
Mosapride metabolite M9 DM002699
22072657
Unclear 1 [3]
Mosapride metabolite M11 DM002689 N. A. Unclear 2 [3]
Mosapride metabolite M5 DM002691 N. A. Unclear 2 [3]
Mosapride metabolite M6,Mosapride metabolite M7 DM002693 N. A. Unclear 2 [3]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001702 Mosapride Mosapride metabolite M3 Unclear Unclear [3]
MR001703 Mosapride Mosapride metabolite M12 Unclear Unclear [3]
MR001704 Mosapride Mosapride metabolite M13,Mosapride metabolite M14 Unclear Unclear [3]
MR001705 Mosapride Mosapride metabolite M1,Mosapride metabolite M2 Unclear Unclear [3]
MR001706 Mosapride Mosapride metabolite M15 Unclear Unclear [3]
MR001707 Mosapride Mosapride metabolite M4 Unclear Unclear [3]
MR001708 Mosapride Mosapride metabolite M10 Unclear Unclear [3]
MR001709 Mosapride Mosapride metabolite M8 Unclear Unclear [3]
MR001710 Mosapride Mosapride metabolite M9 Unclear Unclear [3]
MR001711 Mosapride Mosapride metabolite M16 Unclear Unclear [3]
MR001700 Mosapride metabolite M12 Mosapride metabolite M5 Unclear Unclear [3]
MR001701 Mosapride metabolite M13,Mosapride metabolite M14 Mosapride metabolite M6,Mosapride metabolite M7 Unclear Unclear [3]
MR001699 Mosapride metabolite M3 Mosapride metabolite M11 Unclear Unclear [3]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT02056405) Effect of Mosapride on Postoperative Ileus in Patients Undergoing Colorectal Surgery.
2 The involvement of flavin-containing monooxygenase but not CYP3A4 in metabolism of itopride hydrochloride, a gastroprokinetic agent: comparison with cisapride and mosapride citrate. Drug Metab Dispos. 2000 Oct;28(10):1231-7.
3 Structure identification and elucidation of mosapride metabolites in human urine, feces and plasma by ultra performance liquid chromatography-tandem mass spectrometry method Xenobiotica. 2014 Aug;44(8):734-42. doi: 10.3109/00498254.2014.880201.

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