Details of the Drug

General Information of Drug (ID: DMA8DPN)

Drug Name
Dexchlorpheniramine Maleate
Synonyms Polaramine
Indication
Disease Entry ICD 11 Status REF
Allergic rhinitis CA08.0 Approved [1]
Rhinitis FA20 Approved [2]
Seasonal allergic rhinitis CA08.01 Approved [1]
Urticaria EB00-EB05 Approved [1]
Vasomotor/allergic rhinitis CA08 Approved [1]
Pruritus EC90 Investigative [1]
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Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 390.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
ADMET Property
Bioavailability
The bioavailability of drug is 40.5% []
Clearance
The clearance of drug is 9.8 L/h []
Elimination
The drug is excreted via renal []
Half-life
The concentration or amount of drug in body reduced by one-half in 20 - 30 hours [3]
Metabolism
The drug is metabolized via the hepatic []
Vd
The volume of distribution (Vd) of drug is 321 L []
Chemical Identifiers
Formula
C20H23ClN2O4
IUPAC Name
(Z)-but-2-enedioic acid;(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
Canonical SMILES
CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1
InChIKey
DBAKFASWICGISY-DASCVMRKSA-N
Cross-matching ID
PubChem CID
5281070
ChEBI ID
CHEBI:4465
CAS Number
2438-32-6
DrugBank ID
DB09555
TTD ID
D05ZGQ
INTEDE ID
DR0465
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 Modulator [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Allergic rhinitis
ICD Disease Classification CA08.0
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
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 8.70E-01 2.98E-02 1.22E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Dexchlorpheniramine maleate FDA Label
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5 The roles of CYP2D6 and stereoselectivity in the clinical pharmacokinetics of chlorpheniramine. Br J Clin Pharmacol. 2002 May;53(5):519-25.