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

General Information of Drug (ID: DMY8LDT)

• Drug Name: 2,6-di-t-butylphenol Drug Info
• Synonyms: 2,6-DI-TERT-BUTYLPHENOL; 128-39-2; 2,6-Di-t-butylphenol; 2,6-Bis(tert-butyl)phenol; 2,6-Bis(1,1-dimethylethyl)phenol; Phenol, 2,6-bis(1,1-dimethylethyl)-; 2,6-ditert-butylphenol; 2,6 Di-tert-butylphenol; Ethanox 701; Isonox 103; Ethyl 701; Ethyl AN 701; Hitec 4701; Phenol, 2,6-di-tert-butyl-; 2,6-Bis(t-butyl)phenol; NSC 49175; AN 701; CCRIS 5828; UNII-21294V58PF; HSDB 5616; 2,6-(1,1-Dimethylethyl)phenol; EINECS 204-884-0; MFCD00008820; 2,6-di-tert.-butylphenol; 2,6-Di-tert-butyl-phenol; AI3-26293; CHEMBL281071

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 31405
  ChEBI ID: CHEBI:131421
  CAS Number: CAS 128-39-2
  TTD Drug ID: DMY8LDT

Molecule-Related Drug Atlas

Drug(s) Targeting Carbonic anhydrase II (CA-II)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[3]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[4]
Dorzolamide	DMA17D0	Ocular hypertension	9C61.01	Approved	[5]
Chlorothiazide	DMLHESP	Chronic heart failure	BD1Z	Approved	[6]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[7]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[7]
Cyclothiazide	DMJ4AWC	Congestive heart failure	BD10	Approved	[8]
Ethinamate	DMK57GB	Insomnia	7A00-7A0Z	Approved	[9]
Benzthiazide	DMQWZ0H	High blood pressure	BA00	Approved	[10]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[11]

Drug(s) Affected By Carbonic anhydrase 1 (CA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[12]
Irbesartan	DMTP1DC	Diabetic kidney disease	GB61.Z	Approved	[13]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[14]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[2]
Rosiglitazone	DMILWZR	Chronic kidney disease	GB61	Approved	[15]
Candesartan	DMRK8OT	Chronic heart failure	BD1Z	Approved	[13]
Indomethacin	DMSC4A7	Bursitis		Approved	[16]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[17]
Phenylephrine	DMZHUO5	Allergic rhinitis	CA08.0	Approved	[18]
GUAIACOL	DMN4E7T	N. A.	N. A.	Phase 3	[2]

Drug(s) Affected By Carbonic anhydrase 2 (CA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetazolamide	DM1AF5U	Absence epilepsy		Approved	[16]
Epinephrine	DM3KJBC	Acute asthma	CA23	Approved	[19]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[21]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[22]
Methazolamide	DM7J2TA	Glaucoma/ocular hypertension	9C61	Approved	[23]
Topiramate	DM82Z30	Alcohol dependence	6C40.2	Approved	[24]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[25]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[14]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Carbonic anhydrase 1 (CA1)	OTNFBVVQ	CAH1_HUMAN	Gene/Protein Processing	[2]
Carbonic anhydrase 2 (CA2)	OTJRMUAG	CAH2_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols bioorg. Med Chem. 2009 Apr 15;17(8):3207-11.
• [3] Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.
• [4] Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
• [5] Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8.
• [6] Localization of diuretic effects along the loop of Henle: an in vivo microperfusion study in rats. Clin Sci (Lond). 2000 Apr;98(4):481-8.
• [7] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [8] Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
• [9] Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
• [10] Nature of the inhibition of carbonic anhydrase by acetazolamide and benzthiazide. J Pharmacol Exp Ther. 1961 Mar;131:271-4.
• [11] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
• [12] Integrated analysis of rifampicin-induced microRNA and gene expression changes in human hepatocytes. Drug Metab Pharmacokinet. 2014;29(4):333-40.
• [13] The mechanism of action of angiotensin II is dependent on direct activation of vascular smooth muscle carbonic anhydrase I. Int J Clin Lab Res. 2000;30(3):119-25. doi: 10.1007/s005990070010.
• [14] Inhibition profiles of Voriconazole against acetylcholinesterase, -glycosidase, and human carbonic anhydrase I and II isoenzymes. J Biochem Mol Toxicol. 2019 Oct;33(10):e22385. doi: 10.1002/jbt.22385. Epub 2019 Sep 3.
• [15] Proteomic analysis of human adipose tissue after rosiglitazone treatment shows coordinated changes to promote glucose uptake. Obesity (Silver Spring). 2010 Jan;18(1):27-34. doi: 10.1038/oby.2009.208. Epub 2009 Jun 25.
• [16] Indomethacin activates carbonic anhydrase and antagonizes the effect of the specific carbonic anhydrase inhibitor acetazolamide, by a direct mechanism of action. Int J Clin Pharmacol Ther. 2001 Jun;39(6):265-70.
• [17] Blood transcript immune signatures distinguish a subset of people with elevated serum ALT from others given acetaminophen. Clin Pharmacol Ther. 2016 Apr;99(4):432-41.
• [18] Synephrine and phenylephrine act as -amylase, -glycosidase, acetylcholinesterase, butyrylcholinesterase, and carbonic anhydrase enzymes inhibitors. J Biochem Mol Toxicol. 2017 Nov;31(11). doi: 10.1002/jbt.21973. Epub 2017 Aug 11.
• [19] Effects of beta-adrenergic agonists on bone-resorbing activity in human osteoclast-like cells. Biochim Biophys Acta. 2003 May 12;1640(2-3):137-42.
• [20] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [21] Effect of retinoic acid on gene expression in human conjunctival epithelium: secretory phospholipase A2 mediates retinoic acid induction of MUC16. Invest Ophthalmol Vis Sci. 2005 Nov;46(11):4050-61.
• [22] Comparative gene expression analysis of a chronic myelogenous leukemia cell line resistant to cyclophosphamide using oligonucleotide arrays and response to tyrosine kinase inhibitors. Leuk Res. 2007 Nov;31(11):1511-20.
• [23] Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds. J Biomol Screen. 2006 Oct;11(7):782-91.
• [24] Design, synthesis, and biological evaluation of novel carbohydrate-based sulfamates as carbonic anhydrase inhibitors. J Med Chem. 2011 Mar 10;54(5):1481-9.
• [25] Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
• [26] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.