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

General Information of Drug (ID: DMJQSLW)

• Drug Name: Benzo[b]thiophen-2-ylboronic acid Drug Info
• Synonyms: Benzo[B]thiophene-2-boronic acid; 98437-23-1; benzo[b]thiophen-2-ylboronic acid; 2-benzothienylboronic acid; BENZO[B]THIOPHENE-2-BORONIC ACID; 1-Benzothiophen-2-ylboronic acid; 1-benzothien-2-ylboronic acid; benzo(b)thiophene-2-boronic acid; Benzothiophene-2-boronic acid; Thianaphthene-2-boronic acid; Benzo[b]thiophene-2-ylboronic Acid; C8H7BO2S; 2-benzothiopheneboronic acid; CHEMBL34964; Benzothiophen-2-ylboronic acid; benzo[b]thiophen-2-boronic acid; 1-Benzothiophen-2-Yl-Boranediol; Boronic acid, benzo[b]thien-2-yl-; (1-benzothiophen-2-yl)boronic acid; Benzo[B]Thiophene-2-Boronic Acid

Indication

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

• Cross-matching ID:
  PubChem CID: 2359
  CAS Number: CAS 98437-23-1
  TTD Drug ID: DMJQSLW

Molecule-Related Drug Atlas

Drug(s) Targeting Fatty acid amide hydrolase (FAAH)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[3]
Thiopental	DMGP8AX	Anaesthesia	9A78.6	Approved	[4]
JNJ-42165279	DM72GZO	Anxiety disorder	6B00-6B0Z	Phase 2	[5]
SSR411298	DMGTB2Q	Major depressive disorder	6A70.3	Phase 2	[6]
IW-6118	DMP42W1	Inflammation	1A00-CA43.1	Phase 2	[7]
PF-04457845	DMPRYU1	Liver disease	DB90-BD99	Phase 2	[8]
IPI-940	DMEIM5G	Pain	MG30-MG3Z	Phase 1	[9]
PMID29053063-Compound-11d	DMDRK68	N. A.	N. A.	Patented	[10]
Piperazine carbamic compound 1	DMZSYU4	N. A.	N. A.	Patented	[10]
Piperazine carbamic compound 2	DMMQ0ZO	N. A.	N. A.	Patented	[10]

Drug(s) Targeting Staphylococcus Beta-lactamase (Stap-coc blaZ)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tazobactam	DM3XNUI	Appendicitis	DB10	Approved	[11]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[12]
CAZ AVI	DMPG4OM	Serious infection	1H0Z	Phase 3	[13]
Enmetazobactam	DMZKTYJ	Urinary tract infection	GC08	Phase 3	[14]
Vaborbactam	DMDCFXJ	Urinary tract infection	GC08	Phase 3	[15]
MK-7655	DMLMV0O	Bacterial infection	1A00-1C4Z	Phase 2	[16]
CXL	DM3JFZ2	Methicillin-resistant staphylococci infection	1A00-1A09	Phase 2	[17]
RASV-Sp	DM4VTX6	Streptococcus infection	1B53	Phase 1	[18]
ME-1071	DMEMQ5J	Bacterial infection	1A00-1C4Z	Phase 1	[19]
OP-0595	DMECVP9	Bacterial infection	1A00-1C4Z	Phase 1	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	Inhibitor	[2]
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Nov 27;51(22):7057-60.
• [3] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [4] The general anesthetic propofol increases brain N-arachidonylethanolamine (anandamide) content and inhibits fatty acid amide hydrolase. Br J Pharmacol. 2003 Jul;139(5):1005-13.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Pharma & Vaccines. Product Development Pipeline. April 29 2009.
• [7] The Discovery and Development of Inhibitors of Fatty Acid Amide Hydrolase (FAAH). Bioorg Med Chem Lett. 2011 August 15; 21(16): 4674-4685.
• [8] Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. ACS Med Chem Lett. 2011 Feb 10;2(2):91-96.
• [9] 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: 1400).
• [10] A patent review of Monoacylglycerol Lipase (MAGL) inhibitors (2013-2017).Expert Opin Ther Pat. 2017 Dec;27(12):1341-1351.
• [11] Selection of TNF-alpha binding affibody molecules using a beta-lactamase protein fragment complementation assay. N Biotechnol. 2009 Nov 30;26(5):251-9.
• [12] A sensitive coupled HPLC/electrospray mass spectrometry assay for SPM-1 metallo-beta-lactamase inhibitors. Assay Drug Dev Technol. 2009 Apr;7(2):170-9.
• [13] NXL104 irreversibly inhibits the -lactamase from Mycobacterium tuberculosis. Biochemistry. 2012 Jun 5;51(22):4551-7.
• [14] Pharmacodynamics of Cefepime Combined with the Novel Extended-Spectrum--Lactamase (ESBL) Inhibitor Enmetazobactam for Murine Pneumonia Caused by ESBL-Producing Klebsiella pneumoniae. Antimicrob Agents Chemother. 2020 May 21;64(6):e00180-20.
• [15] Vaborbactam: Spectrum of Beta-Lactamase Inhibition and Impact of Resistance Mechanisms on Activity in Enterobacteriaceae. Antimicrob Agents Chemother. 2017 Oct 24;61(11):e01443-17.
• [16] Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin . Bioorg Med Chem Lett. 2014 Feb 1;24(3):780-5.
• [17] Beta-Lactam Antibiotics Renaissance. Antibiotics. 2014, 3(2), 193-215.
• [18] WO patent application no. 2010,0456,20, Recombinant bacterium capable of eliciting an immune response against streptococcus pneumoniae.
• [19] Multidrug-resistant Gram-negative bacterial infections: are you ready for the challenge. Curr Clin Pharmacol. 2014 Feb;9(1):27-38.
• [20] OP0595, a new diazabicyclooctane: mode of action as a serine -lactamase inhibitor, antibiotic and -lactam 'enhancer'. J Antimicrob Chemother. 2015 Oct;70(10):2779-86.