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

General Information of Drug (ID: DMW0Y29)

Drug Name

4-methylstyrylboronic acid Drug Info

Synonyms

72316-17-7; trans-2-(4-Methylphenyl)vinylboronic acid; 4-methylstyrylboronic acid; (4-Methylstyryl)boronic acid; (E)-(4-Methylstyryl)boronic acid; CHEMBL551649; AK-96341; AC1O0LYH; AC1Q2JL5; SCHEMBL350162; JJOBVKVXRDHVRP-VOTSOKGWSA-N; [(E)-4-Methylstyryl]boronic acid; 1219AC; BDBM50294579; ZINC169876972; AKOS015893172; AB15070; FCH1119774; FCH4624789; OR360466; KB-61861; BBV-43860393; AX8240132; TX-012607; TC-143527; (E)-2-(4-methylphenyl)ethenylboronic acid; [(E)-2-(4-methylphenyl)ethenyl]boranediol

Indication

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

Cross-matching ID

PubChem CID: 6019835
CAS Number: CAS 214907-11-6
TTD Drug ID: DMW0Y29

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

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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]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]

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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.