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

General Information of Drug (ID: DMX71K9)

• Drug Name: 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione Drug Info
• Synonyms: Apoptosis Activator 2; 79183-19-0; 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione; Apoptosis Activator II; 1-(3,4-dichlorobenzyl)indoline-2,3-dione; MDK83190; 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione; J-503075; 1H-Indole-2,3-dione,1-[(3,4-dichlorophenyl)methyl]-; SR-01000411093; ApoptosisActivator2; AC1LYJSJ; Tocris-2098; AC1Q3JHQ; CBMicro_042945; Isatin-based compound, 16; CHEMBL375126; SCHEMBL5426477; BDBM22796; CHEBI:92273; KS-00001DBG; CTK5E6556; cid_1901244; DTXSID30365533; EX-A147; AOB2639; MolPort-002-181-853; HMS3651L12

Indication

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

• Cross-matching ID:
  PubChem CID: 1901244
  ChEBI ID: CHEBI:92273
  CAS Number: CAS 79183-19-0
  TTD Drug ID: DMX71K9

Molecule-Related Drug Atlas

Drug(s) Targeting Liver carboxylesterase (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[2]
PACTIMIBE	DM0NZDT	Arteriosclerosis	BD40	Phase 2/3	[3]
K-604	DMQVN6P	Arteriosclerosis	BD40	Phase 2	[4]
Eldacimibe	DML7WP0	Hyperlipidaemia	5C80	Phase 2	[5]
GR148672X	DM7W6YN	Acute lymphoblastic leukaemia	2A85	Clinical trial	[6]
Avasimibe	DMFG4OM	Peripheral vascular disease	BD4Z	Discontinued in Phase 3	[7]
E-5324	DM562BM	Hyperlipidaemia	5C80	Discontinued in Phase 2	[8]
RP-64477	DMTQ3BS	Hyperlipidaemia	5C80	Discontinued in Phase 2	[9]
CI-976	DMBO28J	Hyperlipidaemia	5C80	Discontinued in Phase 2	[10]
CL-283796	DM7LIDT	Hyperlipidaemia	5C80	Discontinued in Phase 2	[11]

Drug(s) Targeting Cholinesterase (BCHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hexafluronium bromide	DMFY307	Spasm	MB47.3	Approved	[12]
MEPTAZINOL	DMPSB8F	Pain	MG30-MG3Z	Approved	[13]
Eptastigmine	DMTV7ZM	Cognitive impairment	6D71	Phase 3	[14]
(-)-Phenserine	DMNCY1I	Alzheimer disease	8A20	Phase 3	[15]
Plasma derived human butyrylcholinesterase	DMF3IBC	Neurotoxicity	NE61	Phase 1	[16]
Protexia	DME1Y9W	Alzheimer disease	8A20	Phase 1	[17]
JES-9501	DMYR3IE	Alzheimer disease	8A20	Phase 1	[18]
Tetra-hydro-isoquinoline derivative 3	DMCZA45	N. A.	N. A.	Patented	[19]
Tetra-hydro-isoquinoline derivative 1	DML86IO	N. A.	N. A.	Patented	[19]
Tetra-hydro-isoquinoline derivative 2	DM5CKVF	N. A.	N. A.	Patented	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[1]

References

• [1] Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85.
• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Novel indoline-based acyl-CoA:cholesterol acyltransferase inhibitor with antiperoxidative activity: improvement of physicochemical properties and b... J Med Chem. 2008 Aug 14;51(15):4823-33.
• [4] A selective ACAT-1 inhibitor, K-604, suppresses fatty streak lesions in fat-fed hamsters without affecting plasma cholesterol levels. Atherosclerosis. 2007 Apr;191(2):290-7.
• [5] Prospects for drug therapy for hyperlipoproteinaemia. Diabete Metab. 1995 Apr;21(2):139-46.
• [6] 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: 2592).
• [7] New advances in lipid-modifying therapies for reducing cardiovascular risk. Cardiology. 2002;97(2):59-66.
• [8] Effect of the acyl-CoA:cholesterol acyltransferase inhibitor, E5324, on experimental atherosclerosis in rabbits. Atherosclerosis. 1994 Jun;107(2):187-201.
• [9] RP 64477: a potent inhibitor of acyl-coenzyme A:cholesterol O-acyltransferase with low systemic bioavailability. Biochem Pharmacol. 1996 Feb 23;51(4):413-21.
• [10] Acyl-coenzyme A:cholesterol-acyltransferase (ACAT) inhibitors modulate monocyte adhesion to aortic endothelial cells. Atherosclerosis. 1995 Jan 6;112(1):7-17.
• [11] ACAT inhibitors CL 283,546 and CL 283,796 reduce LDL cholesterol without affecting cholesterol absorption in African green monkeys. J Lipid Res. 1995 Jun;36(6):1199-210.
• [12] Synergistic effect of acidosis and succinylcholine-induced hyperkalemia in spinal cord transected rats. Acta Anaesthesiol Scand. 1984 Feb;28(1):87-90.
• [13] Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.
• [14] Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem. 2006 Apr 6;49(7):2174-85.
• [15] Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93.
• [16] Acetylcholinesterase-Fc Fusion Protein (AChE-Fc): A Novel Potential Organophosphate Bioscavenger with Extended Plasma Half-Life. Bioconjug Chem. 2015 Aug 19;26(8):1753-8.
• [17] In vitro and in vivo characterization of recombinant human butyrylcholinesterase (Protexia) as a potential nerve agent bioscavenger. Chem Biol Interact. 2005 Dec 15;157-158:363-5.
• [18] Dehydroevodiamine attenuates beta-amyloid peptide-induced amnesia in mice. Eur J Pharmacol. 2001 Feb 16;413(2-3):221-5.
• [19] A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.Expert Opin Ther Pat. 2018 Jun;28(6):455-465.