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

General Information of Drug (ID: DR5424)
Drug Name
Nipradilol
Synonyms
Nipradilol; Nipradolol; Hypadil; 81486-22-8; Nipradilolum [Latin]; Nipradilol [INN:JAN]; UNII-FVM336I71Y; Hypadil (TN); CCRIS 2515; K 351; BRN 3566879; FVM336I71Y; 8-(2-Hydroxy-3-(isopropylamino)propoxy)chroman-3-yl nitrate; C15H22N2O6; 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanyl nitrat; 8-(2-Hydroxy-3-(isopropylamino)propoxy)-3-chromanol 3-nitrate; K-351; 3,4-Dihydro-8-(2-hydroxy-3-isopropylamino)propoxy-3-nitroxy-2H-1-benzopyran; 3,4-Dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2H-1-benzopyran-3-ol 3-nitra
Indication Angina pectoris [ICD11: BA40] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 326.34 Topological Polar Surface Area 106
Heavy Atom Count 23 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
72006
ChEBI ID
CHEBI:31682
CAS Number
81486-22-8
TTD Drug ID
D09SSC
Formula
C15H22N2O6
Canonical SMILES
CC(C)NCC(COC1=CC=CC2=C1OCC(C2)O[N+](=O)[O-])O
InChI
InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3
InChIKey
OMCPLEZZPVJJIS-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
Nipradilol metabolite M13 DM016997 N. A. Oxidation - 4-hydroxylation 1 [3]
Nipradilol metabolite M2 DM015585
9974638
Oxidation - 5-hydroxylation 1 [3]
Nipradilol metabolite M3 DM015183
135168
Unclear - Unclear 1 [3]
Nipradilol metabolite M4 DM016990 N. A. Oxidation - N-deisopropylation 1 [3]
Nipradilol metabolite M7 DM015607
10063209
Oxidation - 5-hydroxylation 1 [3]
Nipradilol metabolite M8 DM016998 N. A. Oxidation - 4-hydroxylation 1 [3]
Nipradilol metabolite M9 DM016993 N. A. Oxidation - N-deisopropylation 1 [3]
Nipradilol metabolite M10 DM016996 N. A. Conjugation - N-Methylation 2 [3]
Nipradilol metabolite M12 DM016991 N. A. Oxidation - Oxidation 2 [3]
Nipradilol metabolite M13 DM016997 N. A. Oxidation - 4-hydroxylation 2 [3]
Nipradilol metabolite M2 DM015585
9974638
Oxidation - 5-hydroxylation 2 [3]
Nipradilol metabolite M4 DM016990 N. A. Oxidation - N-deisopropylation 2 [3]
Nipradilol metabolite M5 DM016995 N. A. Conjugation - N-Methylation 2 [3]
Nipradilol metabolite M6 DM016994 N. A. Reduction - Reduction 2 [3]
Nipradilol metabolite M7 DM015607
10063209
Oxidation - 5-hydroxylation 2 [3]
Nipradilol metabolite M8 DM016998 N. A. Oxidation - 4-hydroxylation 2 [3]
Nipradilol metabolite M9 DM016993 N. A. Oxidation - N-deisopropylation 2 [3]
Nipradilol metabolite M10 DM016996 N. A. Conjugation - N-Methylation 3 [3]
Nipradilol metabolite M11 DM016992 N. A. Oxidation - Oxidation 3 [3]
Nipradilol metabolite M12 DM016991 N. A. Oxidation - Oxidation 3 [3]
Nipradilol metabolite M5 DM016995 N. A. Conjugation - N-Methylation 3 [3]
Nipradilol metabolite M6 DM016994 N. A. Reduction - Reduction 3 [3]
Nipradilol metabolite M11 DM016992 N. A. Oxidation - Oxidation 4 [3]
⏷ Show the Full List of 23  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007892 Nipradilol Nipradilol metabolite M3 Unclear - Unclear Unclear [3]
MR007904 Nipradilol Nipradilol metabolite M4 Oxidation - N-deisopropylation Unclear [3]
MR007905 Nipradilol Nipradilol metabolite M9 Oxidation - N-deisopropylation Unclear [3]
MR007910 Nipradilol Nipradilol metabolite M2 Oxidation - 5-hydroxylation Unclear [3]
MR007911 Nipradilol Nipradilol metabolite M7 Oxidation - 5-hydroxylation Unclear [3]
MR007912 Nipradilol Nipradilol metabolite M13 Oxidation - 4-hydroxylation Unclear [3]
MR007913 Nipradilol Nipradilol metabolite M8 Oxidation - 4-hydroxylation Unclear [3]
MR007896 Nipradilol metabolite M11 Nipradilol metabolite M9 Oxidation - N-deisopropylation Unclear [3]
MR007893 Nipradilol metabolite M3 Nipradilol metabolite M4 Oxidation - N-deisopropylation Unclear [3]
MR007906 Nipradilol metabolite M3 Nipradilol metabolite M2 Oxidation - 5-hydroxylation Unclear [3]
MR007907 Nipradilol metabolite M3 Nipradilol metabolite M7 Oxidation - 5-hydroxylation Unclear [3]
MR007908 Nipradilol metabolite M3 Nipradilol metabolite M13 Oxidation - 4-hydroxylation Unclear [3]
MR007909 Nipradilol metabolite M3 Nipradilol metabolite M8 Oxidation - 4-hydroxylation Unclear [3]
MR014034 Nipradilol metabolite M4 Nipradilol metabolite M12 Oxidation - Oxidation Unclear [3]
MR014036 Nipradilol metabolite M4 Nipradilol metabolite M10 Conjugation - N-Methylation Unclear [3]
MR014037 Nipradilol metabolite M4 Nipradilol metabolite M5 Conjugation - N-Methylation Unclear [3]
MR014038 Nipradilol metabolite M4 Nipradilol metabolite M6 Reduction - Reduction Unclear [3]
MR014039 Nipradilol metabolite M9 Nipradilol metabolite M12 Oxidation - Oxidation Unclear [3]
MR014040 Nipradilol metabolite M9 Nipradilol metabolite M10 Conjugation - N-Methylation Unclear [3]
MR014041 Nipradilol metabolite M9 Nipradilol metabolite M5 Conjugation - N-Methylation Unclear [3]
MR014042 Nipradilol metabolite M9 Nipradilol metabolite M6 Reduction - Reduction Unclear [3]
MR014035 Nipradilol metabolite M12 Nipradilol metabolite M11 Oxidation - Oxidation Unclear [3]
MR007894 Nipradilol metabolite M4 Nipradilol metabolite M12 Oxidation - Oxidation Unclear [3]
MR007898 Nipradilol metabolite M4 Nipradilol metabolite M6 Reduction - Reduction Unclear [3]
MR007899 Nipradilol metabolite M4 Nipradilol metabolite M5 Conjugation - N-Methylation Unclear [3]
MR007900 Nipradilol metabolite M4 Nipradilol metabolite M10 Conjugation - N-Methylation Unclear [3]
MR007897 Nipradilol metabolite M9 Nipradilol metabolite M12 Oxidation - Oxidation Unclear [3]
MR007901 Nipradilol metabolite M9 Nipradilol metabolite M6 Reduction - Reduction Unclear [3]
MR007902 Nipradilol metabolite M9 Nipradilol metabolite M5 Conjugation - N-Methylation Unclear [3]
MR007903 Nipradilol metabolite M9 Nipradilol metabolite M10 Conjugation - N-Methylation Unclear [3]
MR007895 Nipradilol metabolite M12 Nipradilol metabolite M11 Oxidation - Oxidation Unclear [3]
⏷ Show the Full List of 31 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Metabolism of nipradilol by liver homogenates from different species. I. Comparative studies on the denitration of nipradilol and other organic nitrates
3 Structural determination of dog and human urinary metabolites of nipradilol (K-351), a new antihypertensive agent

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