Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMBZWQL)

• Drug Name: Clemastine Drug Info
• Synonyms: Clemastina; Clemastinum; Meclastin; Meclastine; Mecloprodin; Tavegyl; Tavist; CLEMASTINE FUMARATE; HS 592; Clemastina [INN-Spanish]; Clemastine [USAN:BAN]; Clemastinum [INN-Latin]; HS-592; Tavegyl (TN); Tavist (TN); Tavist (*Fumarate*); (+)-(2R)-2-(2-(((R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine; (+)-(2R)-2-[2-[[(R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine; (2R)-2-(2-{[(1R)-1-(4-chlorophenyl)-1-phenylethyl]oxy}ethyl)-1-methylpyrrolidine; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine; 2(R)-[2-[(1R)-(4-Chlorophenyl)-1-phenyl-ethoxy]ethyl-1-methylpyrrolidine; 2-(2-(4-Chlor-alpha-methylbenzhydryloxy)ethyl)-1-methylpyrrolidin

Indication

Disease Entry	ICD 11	Status	REF
Allergic rhinitis	CA08.0	Approved	[1]
Urticaria	EB00-EB05	Approved	[2]
Vasomotor/allergic rhinitis	CA08	Approved	[2]
Pruritus	EC90	Investigative	[2]

• Therapeutic Class: Antiallergic Agents
• Cross-matching ID:
  PubChem CID: 26987
  ChEBI ID: CHEBI:3738
  CAS Number: CAS 15686-51-8
  TTD Drug ID: DMBZWQL
  VARIDT Drug ID: DR00796
  ACDINA Drug ID: D00135

Molecule-Related Drug Atlas

Drug(s) Targeting Histamine H1 receptor (H1R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ergotidine	DM78IME	Osteoarthritis	FA00-FA05	Approved	[6]
Loratadine	DMF3AN7	Allergy	4A80-4A85	Approved	[7]
Azelastine	DMXTMBJ	Allergic conjunctivitis	9A60.02	Approved	[8]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[9]
Cinnarizine	DM7U5QJ	Meniere disease	AB31.0	Approved	[10]
Diphenhydramine	DMKQTBA	Hyperemesis gravidarum		Approved	[8]
Doxepin	DMPI98T	Anxiety		Approved	[11]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[8]
Epinastine	DMX0K3Q	Allergic conjunctivitis	9A60.02	Approved	[12]
Desloratadine	DM56YN7	Allergic rhinitis	CA08.0	Approved	[13]

Drug(s) Affected By Phosphatidylcholine translocator ABCB4 (ABCB4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[14]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[15]
Methysergide	DM1EF73	Migraine	8A80	Approved	[4]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[16]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[17]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[4]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[18]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[19]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[20]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[21]

Drug(s) Affected By Potassium voltage-gated channel subfamily H member 2 (KCNH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Metoclopramide	DMFA5MY	Nausea	MD90	Approved	[22]
Quinidine	DMLPICK	N. A.	N. A.	Approved	[23]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[24]
Erythromycin	DM4K7GQ	Acne vulgaris	ED80	Approved	[25]
Clarithromycin	DM4M1SG	Acute maxillary sinusitis		Approved	[25]
Disopyramide	DM5SYZP	Long QT syndrome	BC65.0	Approved	[26]
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[27]
Amiodarone	DMUTEX3	Tachyarrhythmias	BC71	Approved	[28]
Dofetilide	DMPN1TW	Sinus rhythm disorder	BC9Y	Approved	[29]
Flecainide	DMSQDLE	Tachyarrhythmias	BC71	Approved	[25]

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]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Phosphatidylcholine translocator ABCB4 (ABCB4)	OTE6PY83	MDR3_HUMAN	Gene/Protein Processing	[4]
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[5]

References

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• [2] Clemastine FDA Label
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• [16] Molecular mechanisms of hepatotoxic cholestasis by clavulanic acid: Role of NRF2 and FXR pathways. Food Chem Toxicol. 2021 Dec;158:112664. doi: 10.1016/j.fct.2021.112664. Epub 2021 Nov 9.
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• [19] Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
• [20] Species-specific toxicity of diclofenac and troglitazone in primary human and rat hepatocytes. Chem Biol Interact. 2009 Apr 15;179(1):17-24.
• [21] Evaluation of gene induction of drug-metabolizing enzymes and transporters in primary culture of human hepatocytes using high-sensitivity real-time reverse transcription PCR. Yakugaku Zasshi. 2002 May;122(5):339-61.
• [22] Comparison of the effects of metoclopramide and domperidone on HERG channels. Pharmacology. 2005 Apr;74(1):31-6. doi: 10.1159/000083234. Epub 2005 Jan 7.
• [23] Further insights into the effect of quinidine in short QT syndrome caused by a mutation in HERG. J Cardiovasc Electrophysiol. 2005 Jan;16(1):54-8. doi: 10.1046/j.1540-8167.2005.04470.x.
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• [25] Refining the human iPSC-cardiomyocyte arrhythmic risk assessment model. Toxicol Sci. 2013 Dec;136(2):581-94. doi: 10.1093/toxsci/kft205. Epub 2013 Sep 19.
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• [29] Redox state dependency of HERGS631C channel pharmacology: relation to C-type inactivation. FEBS Lett. 2000 May 26;474(1):111-5. doi: 10.1016/s0014-5793(00)01586-6.