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

General Information of Drug (ID: DR1093)
Drug Name
Minaprine
Synonyms
Minaprina; Minaprina [INN-Spanish]; Minaprinum; Minaprinum [INN-Latin]; Brantur; Cantor; MINAPRINE HYDROCHLORIDE; minaprine; 00U7GX0NLM; 25905-77-5; 4-(2-((4-Methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine; 4-Methyl-3-(2-morpholinoethylamino)-6-phenylpyridazin; 4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-; AGR 1240; Agr-1240; CB 30038; CHEBI:51038; CHEMBL278819; EINECS 247-329-8; N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholineethanamine; UNII-00U7GX0NLM
Indication Depression [ICD11: 6A71] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 298.4 Topological Polar Surface Area 50.3
Heavy Atom Count 22 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
4199
PubChem SID
7433695 ; 8152626 ; 11112706 ; 11335238 ; 11360477 ; 11364228 ; 11366790 ; 11369352 ; 11372508 ; 11373855 ; 11377514 ; 11461449 ; 11466094 ; 11467214 ; 11485190 ; 11485908 ; 11489223 ; 11491260 ; 11492233 ; 11495148 ; 14751646 ; 24896803 ; 29223304 ; 46505380 ; 47206766 ; 47216618 ; 47290970 ; 47440078 ; 47588828 ; 47662107 ; 47959567 ; 47959568 ; 49698916 ; 49993893 ; 50100510 ; 56394929 ; 57322189 ; 57654369 ; 61212480 ; 77581144 ; 85209879 ; 85787830 ; 103140727 ; 103194634 ; 103967506 ; 104024299 ; 104305716 ; 117523812 ; 124599829 ; 124882544
ChEBI ID
ChEBI:51038
CAS Number
25905-77-5
TTD Drug ID
D0W8SJ
Formula
C17H22N4O
Canonical SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3
InChI
1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKey
LDMWSLGGVTVJPG-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
Minaprine metabolite M1 DM002686
603946
Unclear 1 [3]
Minaprine metabolite M2 and Minaprine metabolite M10 isomers DM002685 N. A. Unclear 1 [3]
Minaprine metabolite M3 DM002683
71258
Oxidation - Hydroxylation 1 [3]
Minaprine metabolite M4 DM002684
6410621
Unclear 1 [3]
Minaprine metabolite M5 DM002679
6410661
Unclear 1 [3]
Minaprine metabolite M6 DM002682
6410663
Unclear 1 [3]
Minaprine metabolite M7 DM002678 N. A. Unclear 1 [3]
Minaprine metabolite M5 DM002679
6410661
Unclear 2 [3]
Minaprine metabolite M8 DM002681 N. A. Unclear 2 [3]
Minaprine metabolite M9 DM002680 N. A. Unclear 2 [3]
Minaprine metabolite M9 DM002680 N. A. Unclear 3 [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001692 Minaprine Minaprine metabolite M7 Unclear Unclear [3]
MR001693 Minaprine Minaprine metabolite M5 Unclear Unclear [3]
MR001694 Minaprine Minaprine metabolite M6 Unclear Unclear [3]
MR001695 Minaprine Minaprine metabolite M3 Oxidation - Hydroxylation CYP2D6 [3]
MR001696 Minaprine Minaprine metabolite M4 Unclear Unclear [3]
MR001697 Minaprine Minaprine metabolite M2 and Minaprine metabolite M10 isomers Unclear Unclear [3]
MR001698 Minaprine Minaprine metabolite M1 Unclear Unclear [3]
MR001691 Minaprine metabolite M3 Minaprine metabolite M9 Unclear Unclear [3]
MR001690 Minaprine metabolite M6 Minaprine metabolite M5 Unclear Unclear [3]
MR001686 Minaprine metabolite M7 Minaprine metabolite M5 Unclear Unclear [3]
MR001687 Minaprine metabolite M7 Minaprine metabolite M8 Unclear Unclear [3]
MR001688 Minaprine metabolite M5 Minaprine metabolite M9 Unclear Unclear [3]
MR001689 Minaprine metabolite M8 Minaprine metabolite M9 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 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Evaluation of the Characteristics of Safety Withdrawal of Prescription Drugs from Worldwide Pharmaceutical Markets-1960 to 1999. Therapeutic Innovation Regulatory Science, 2001, 35(1):293-317.
2 Comparative molecular field analysis and QSAR on substrates binding to cytochrome p450 2D6. Bioorg Med Chem. 2003 Dec 1;11(24):5545-54.
3 The biotransformation of [14C]minaprine in man and five animals species Xenobiotica. 1981 Nov;11(11):735-47. doi: 10.3109/00498258109045877.

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