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

General Information of Drug (ID: DMQ9MVG)

• Drug Name: Chlorhexidine Drug Info
• Synonyms: AVAGARD; Chlorhexidin; Chlorhexidinum; Cloresidina; Clorhexidina; Fimeil; Hexadol; Hibiclens; Hibispray; Hibistat;Nolvasan; Novalsan; Peridex; Periogard; Rotersept; Savloclens; Soretol; Sterido; Sterilon; Superspray; Tubulicid; Chlorhexidin [Czech]; Chlorhexidine Base; Chlorhexidine gluconate; Cloresidina [DCIT]; Decanoylacetaldehyde Sodium Sulfide; Dentisept [veterinary]; Savlon babycare; Sebidin A; Sodium Houttuyfonamide; Avagard (TN); BIOPATCH (TN); ChloraPrep (TN); Chlorhexamed (TN); Chlorhexidine (INN);Chlorhexidine [INN:BAN]; Chlorhexidinum [INN-Latin]; Chlorohex (TN); Clohex (TN); Clorexil (TN); Clorhexidina [INN-Spanish]; Corsodyl (TN); Dentisept [veterinary] (TN); Dexidin (TN); Exidine (TN); Hibiclens (TN); Hibiscrub (TN); MK-412A; Merfen-incolore; Oro-Clense; Oronine (TN); Perichlor (TN); Peridex (TN); Peridont (TN); Periochip (TN); Periogard Oral Rinse (TN); Perioxidina (TN); Savacol (TN); Suthol (TN); Dejavu-MW (TN); Merfen-incolore (TN); Lisium (*Dihydrochloride*); Nolvasan (*Diacetate*); SOLU-I.V (TN); N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca-nediimidamide; N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; 1,1 inverted exclamation marka-Hexamethylenebis[5-(4-chlorophenyl)biguanide]; 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide; 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane; 1,6-Bis(p-chlorophenyldiguanido)hexane; 1,6-Di(4'-chlorophenyldiguanido)hexane; 1,6-Di(N-p-chlorophenyldiguanido)hexane

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]
Gingivitis	DA0B	Approved	[2]
Intracerebral hemorrhage		Approved	[2]

• Therapeutic Class: Antibiotics
• Cross-matching ID:
  PubChem CID: 9552079
  ChEBI ID: CHEBI:3614
  CAS Number: CAS 55-56-1
  TTD Drug ID: DMQ9MVG
  VARIDT Drug ID: DR00848
  INTEDE Drug ID: DR2666

Molecule-Related Drug Atlas

Drug(s) Targeting Bacterial Dihydropteroate synthetase (Bact folP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sulfamethoxazole	DMB08GE	Acute otitis media	AB00	Approved	[5]
Sulfadiazine	DMTW3R8	Rheumatic fever	1B40-1B42	Approved	[6]
Doripenem	DM9UCJK	Cholecystitis		Approved	[7]
Colistin	DMMD9QE	Pseudomonas infection	1B92	Approved	[8]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[9]
Sulfisoxazole	DMXLT8C	Acute otitis media	AB00	Approved	[10]
Sulfapyridine	DMIUYFH	Dermatitis herpetiformis	EB44	Approved	[11]
Gramicidin D	DMPT74U	Bacterial infection	1A00-1C4Z	Approved	[12]
Oritavancin	DM28D05	Bacterial infection	1A00-1C4Z	Approved	[7]
Faropenem	DMX7A5V	Gram-positive bacterial infection	1B74-1G40	Approved	[7]

Drug(s) Affected By Acetylcholinesterase (ACHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[13]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[14]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[15]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[17]
L-Glutamic Acid	DM4PUDW	Schizophrenia	6A20	Approved	[15]
Tacrine	DM51FY6	Alzheimer disease	8A20	Approved	[18]
Chlorpromazine	DMBGZI3	Acute intermittent hepatic porphyria	5C58.11	Approved	[19]
Neostigmine	DM6T2J3	Myasthenia gravis	8C6Y	Approved	[20]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Dihydropteroate synthetase (Bact folP)	TT4ILYC	DHPS_ECOLI	Breaker	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[4]

References

• [1] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 019822.
• [2] Chlorhexidine FDA Label
• [3] The mechanism of action of chlorhexidine. FEMS Microbiol Lett. 1992 Dec 15;79(1-3):211-5.
• [4] Profiling the Tox21 Chemical Collection for Acetylcholinesterase Inhibition. Environ Health Perspect. 2021 Apr;129(4):47008. doi: 10.1289/EHP6993. Epub 2021 Apr 12.
• [5] In vitro activities of novel antifolate drug combinations against Plasmodium falciparum and human granulocyte CFUs. Antimicrob Agents Chemother. 1995 Apr;39(4):948-52.
• [6] Sulfadiazine/hydroxypropyl-beta-cyclodextrin host-guest system: Characterization, phase-solubility and molecular modeling. Bioorg Med Chem. 2008 May 15;16(10):5788-94.
• [7] Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
• [8] Polymyxin B sulfate and colistin: old antibiotics for emerging multiresistant gram-negative bacteria. Ann Pharmacother. 1999 Sep;33(9):960-7.
• [9] The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
• [10] Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. Antimicrob Agents Chemother. 1995 Aug;39(8):1756-63.
• [11] A confirmatory method for the simultaneous extraction, separation, identification and quantification of Tetracycline, Sulphonamide, Trimethoprim an... J Chromatogr A. 2009 Nov 13;1216(46):8110-6.
• [12] Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles. Biochemistry. 2001 Oct 2;40(39):11676-86.
• [13] Monitoring the reaction of carbachol with acetylcholinesterase by thioflavin T fluorescence and acetylthiocholine hydrolysis. Chem Biol Interact. 2008 Sep 25;175(1-3):235-41. doi: 10.1016/j.cbi.2008.06.002. Epub 2008 Jun 17.
• [14] Effect of reversible ligands on oxime-induced reactivation of sarin- and cyclosarin-inhibited human acetylcholinesterase. Toxicol Lett. 2015 Feb 3;232(3):557-65.
• [15] Dihydroactinidiolide regulates Nrf2/HO-1 expression and inhibits caspase-3/Bax pathway to protect SH-SY5Y human neuroblastoma cells from oxidative stress induced neuronal apoptosis. Neurotoxicology. 2021 May;84:53-63. doi: 10.1016/j.neuro.2021.02.006. Epub 2021 Feb 20.
• [16] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [17] Tribromophenol induces the differentiation of SH-SY5Y human neuroblastoma cells in vitro. Toxicol In Vitro. 2003 Oct-Dec;17(5-6):635-41. doi: 10.1016/s0887-2333(03)00110-3.
• [18] Correlation of brain levels of 9-amino-1,2,3,4-tetrahydroacridine (THA) with neurochemical and behavioral changes. Eur J Pharmacol. 1989 Nov 28;173(1):53-64. doi: 10.1016/0014-2999(89)90008-3.
• [19] Interaction of dichlorvos and anticholinesterases on the in vitro inhibition of human blood cholinesterases. Toxicol Appl Pharmacol. 1974 Feb;27(2):456-63.
• [20] Hairy-root organ cultures for the production of human acetylcholinesterase. BMC Biotechnol. 2008 Dec 23;8:95.
• [21] The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.