Details of the Drug

General Information of Drug (ID: DM32YAI)

Drug Name

Dimethindene

Synonyms

Dimethpyrindene; Dimethylpyrindene; Dimetindene; Dimetindeno; Dimetindenum; Fengel; Fenistil; Forhistal; Foristal; Pecofenil; Triten; Z 2001; Dimetindene (INN); Dimetindene [INN:BAN]; Dimetindeno [INN-Spanish]; Dimetindenum [INN-Latin]; Fenistil (TN); Dimethyl{2-[3-(2-pyridylethyl)inden-2-yl]ethyl}amine; N,N-Dimethyl-3-(1-(2-pyridyl)ethyl)inden-2-ethylamin; N,N-Dimethyl-N-(3-(1-(2-pyridyl)ethyl)-2-indenylethyl)amin; N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine; 1H-Indene-2-ethanamine, N,N-dimethyl-3-(1-(2-pyridinyl)ethyl)-(9CI); 2-(1-(2-(2-Dimethylaminoethyl)inden-3-yl)ethyl)pyridine

Indication

Disease Entry	ICD 11	Status	REF
Respiratory allergy	4A80	Approved	[1]
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Therapeutic Class

Antiallergic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

292.4

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

ADMET Property

Clearance: The drug present in the plasma can be removed from the body at the rate of 4.83 mL/min/kg [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 4.6 hours [2]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 2.16 L/kg [2]

Chemical Identifiers

Formula: C20H24N2
IUPAC Name: N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
Canonical SMILES: CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C
InChI: InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
InChIKey: MVMQESMQSYOVGV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 21855
ChEBI ID: CHEBI:135222
CAS Number: 5636-83-9
DrugBank ID: DB08801
TTD ID: D08CTT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Antagonist	[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

Respiratory allergy

ICD Disease Classification

4A80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Prescription and safety of dimethindene maleate micropellet capsules in Hungary. Orv Hetil. 2004 Feb 15;145(7):327-9.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Analytical method for simultaneously measuring ex vivo drug receptor occupancy and dissociation rate: application to (R)-dimethindene occupancy of central histamine H1 receptors. J Recept Signal Transduct Res. 2009;29(2):84-93.