Details of the Drug

General Information of Drug (ID: DMA8DPN)

• Drug Name: Dexchlorpheniramine maleate
• Synonyms: Polaramine

Indication

Disease Entry	ICD 11	Status	REF
Rhinitis	FA20	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 390.9
  Topological Polar Surface Area; 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% [2]
  Clearance: The clearance of drug is 9.8 L/h [3]
  Elimination: The drug is excreted via renal [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 20 - 30 hours [4]
  Metabolism: The drug is metabolized via the hepatic [2]
  Vd: The volume of distribution (Vd) of drug is 321 L [3]
• 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

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	[5]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[6]

Molecular Expression Atlas of This Drug

• The Studied Disease: Rhinitis
• ICD Disease Classification: FA20

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

References

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• [4] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
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• [20] Update on prescription and over-the-counter histamine inverse agonists in rhinitis therapy. Curr Allergy Asthma Rep. 2009 Mar;9(2):140-8.
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