Details of the Drug

General Information of Drug (ID: DM0EP7M)

Drug Name
Minaprine
Synonyms
Brantur; Cantor; Minaprina; Minaprinum; Minaprine dihydrochloride; AGR 1240; CB 30038; Cantor (TN); Minaprina [INN-Spanish]; Minaprinum [INN-Latin]; Minaprine (USAN/INN); Minaprine [USAN:BAN:INN]; N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholineethanamine; 3-(morpholinoethyl)amino-4-methyl-6-phenylpyridazine; 4-(2-((4-Methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine; 4-Methyl-3-(2-morpholinoethylamino)-6-phenylpyridazin; 4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
Indication
Disease Entry ICD 11 Status REF
Depression 6A70-6A7Z Approved [1]
Therapeutic Class
Antidepressants
Affected Organisms
Humans and other mammals
ATC Code
N06AX07: Minaprine
N06AX: Other antidepressants
N06A: ANTIDEPRESSANTS
N06: PSYCHOANALEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 298.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C17H22N4O
IUPAC Name
4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
Canonical SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3
InChI
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
Cross-matching ID
PubChem CID
4199
ChEBI ID
CHEBI:51038
CAS Number
25905-77-5
UNII
00U7GX0NLM
DrugBank ID
DB00805
TTD ID
D0W8SJ
INTEDE ID
DR1093

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2B receptor (HTR2B) TT0K1SC 5HT2B_HUMAN Antagonist [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Depression
ICD Disease Classification 6A70-6A7Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2B receptor (HTR2B) DTT HTR2B 2.08E-01 -0.05 -0.23
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 5.64E-01 2.36E-02 1.75E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel cholinesterase inhibitors as future effective drugs for the treatment of Alzheimer's disease. Expert Opin Investig Drugs. 2006 Jan;15(1):1-12.
2 Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
3 Comparative molecular field analysis and QSAR on substrates binding to cytochrome p450 2D6. Bioorg Med Chem. 2003 Dec 1;11(24):5545-54.