General Information of Drug (ID: DMD9FZW)

Drug Name
4-butylphenylboronic acid Drug Info
Synonyms
4-Butylphenylboronic acid; 145240-28-4; (4-butylphenyl)boronic Acid; 4-n-Butylphenylboronic acid; 4-Butylphenylboronicacid; 4-Butylbenzeneboronic Acid; 4-N-BUTYLBENZENEBORONIC ACID; (4-Butylphenyl)Boranediol; CHEMBL555064; Boronic acid, (4-butylphenyl)-; MFCD02093926; AK-47631; 4-n-Butylphenylboronic acid, 95%; Boronic acid, B-(4-butylphenyl)-; PubChem18523; ACMC-209cue; AC1N2RDA; 4-Butylphenylboranic acid; 4-n-Butylphenylboronicacid; 4-butylphenyl boronic acid; 4-butyl-phenylboronic acid; AC1Q2VE3; 4-butyl phenyl boronic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
4100860
CAS Number
CAS 145240-28-4
TTD Drug ID
DMD9FZW

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Patented Agent(s)
Drug(s) Targeting Carbonic anhydrase I (CA-I)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Salicyclic acid DM2F8XZ Acne vulgaris ED80 Approved [2]
Ethoxzolamide DMVO4ED Glaucoma/ocular hypertension 9C61 Approved [3]
Dichlorphenamide DMH7IDQ Chronic glaucoma 9C61.0Z Approved [3]
Methazolamide DM7J2TA Glaucoma/ocular hypertension 9C61 Approved [4]
Acetazolamide DM1AF5U Absence epilepsy Approved [3]
Curcumin DMQPH29 Solid tumour/cancer 2A00-2F9Z Phase 3 [5]
PARABEN DMEW5Z8 N. A. N. A. Phase 3 [6]
CG-100649 DMIKMA9 Arthritis FA20 Phase 3 [7]
PHENOL DM1QSM3 N. A. N. A. Phase 2/3 [5]
Coumate DMVKW0N Breast cancer 2C60-2C65 Phase 2 [8]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Salicyclic acid DM2F8XZ Acne vulgaris ED80 Approved [2]
Sulfamylon DMIO1K0 Bacterial infection 1A00-1C4Z Approved [9]
Dorzolamide DMA17D0 Ocular hypertension 9C61.01 Approved [10]
Chlorothiazide DMLHESP Chronic heart failure BD1Z Approved [11]
Ethoxzolamide DMVO4ED Glaucoma/ocular hypertension 9C61 Approved [12]
Dichlorphenamide DMH7IDQ Chronic glaucoma 9C61.0Z Approved [12]
Cyclothiazide DMJ4AWC Congestive heart failure BD10 Approved [13]
Ethinamate DMK57GB Insomnia 7A00-7A0Z Approved [14]
Benzthiazide DMQWZ0H High blood pressure BA00 Approved [15]
Curcumin DMQPH29 Solid tumour/cancer 2A00-2F9Z Phase 3 [5]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Targeting Carbonic anhydrase (CA)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Salicyclic acid DM2F8XZ Acne vulgaris ED80 Approved [16]
Sulfamylon DMIO1K0 Bacterial infection 1A00-1C4Z Approved [17]
Quinethazone DMWCOSR Hypertension BA00-BA04 Approved [18]
Curcumin DMQPH29 Solid tumour/cancer 2A00-2F9Z Phase 3 [5]
PARABEN DMEW5Z8 N. A. N. A. Phase 3 [6]
PHENOL DM1QSM3 N. A. N. A. Phase 2/3 [5]
Coumate DMVKW0N Breast cancer 2C60-2C65 Phase 2 [8]
SULFAMIDE DMMAS3K N. A. N. A. Phase 1 [19]
FERULIC ACID DMJC7NF Discovery agent N.A. Patented [6]
PMID30074415-Compound-21 DM3NPOU N. A. N. A. Patented [20]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [1]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]

References

1 Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5.
2 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.
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
4 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2597).
5 Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
6 Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.
7 Understanding the Dual Inhibition of COX-2 and Carbonic Anhydrase-II by Celecoxib and CG100649 Using Density Functional Theory Calculations and other Molecular Modelling Approaches. Protein Pept Lett. 2015;22(10):903-12.
8 Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-r... Bioorg Med Chem Lett. 2008 Aug 1;18(15):4282-6.
9 Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
10 Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8.
11 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.
12 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
13 Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
14 Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
15 Nature of the inhibition of carbonic anhydrase by acetazolamide and benzthiazide. J Pharmacol Exp Ther. 1961 Mar;131:271-4.
16 Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
17 Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV. J Med Chem. 2009 Feb 12;52(3):646-54.
18 Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for th... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2567-73.
19 Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mamm... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3601-5.
20 Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.