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]
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Therapeutic Class

Antidepressants

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
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]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.