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

General Information of Drug (ID: DMK6BWV)

• Drug Name: 1-dodecyl-1H-indole-2,3-dione Drug Info
• Synonyms: 1-dodecylindoline-2,3-dione

Indication

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

• Cross-matching ID:
  PubChem CID: 1897797
  TTD Drug ID: DMK6BWV

Molecule-Related Drug Atlas

Drug(s) Targeting M-phase inducer phosphatase 1 (MPIP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MX-7065	DMP26BW	Solid tumour/cancer	2A00-2F9Z	Terminated	[3]
Ro 20-1724	DM0PSCF	Asthma	CA23	Terminated	[4]
3-isopropyl-4-(phenylthio)naphthalene-1,2-dione	DMJZEMB	Discovery agent	N.A.	Investigative	[5]
4-(p-toluidino)-3-isopropylnaphthalene-1,2-dione	DMQA0EJ	Discovery agent	N.A.	Investigative	[5]
3-isopropyl-4-phenylnaphthalene-1,2-dione	DMYZCWX	Discovery agent	N.A.	Investigative	[5]
NSC-95397	DMX0TAM	Discovery agent	N.A.	Investigative	[6]
3-isopropyl-4-(phenylamino)naphthalene-1,2-dione	DMHAJ6W	Discovery agent	N.A.	Investigative	[5]
3-isopropylnaphthalene-1,2-dione	DM46ID2	Discovery agent	N.A.	Investigative	[5]
2-(1-dodecyl-1H-indol-3-yl)acetic acid	DMF2XHZ	Discovery agent	N.A.	Investigative	[2]
(E)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid	DMI146O	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Liver carboxylesterase (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[7]
PACTIMIBE	DM0NZDT	Arteriosclerosis	BD40	Phase 2/3	[8]
K-604	DMQVN6P	Arteriosclerosis	BD40	Phase 2	[9]
Eldacimibe	DML7WP0	Hyperlipidaemia	5C80	Phase 2	[10]
GR148672X	DM7W6YN	Acute lymphoblastic leukaemia	2A85	Clinical trial	[11]
Avasimibe	DMFG4OM	Peripheral vascular disease	BD4Z	Discontinued in Phase 3	[12]
E-5324	DM562BM	Hyperlipidaemia	5C80	Discontinued in Phase 2	[13]
RP-64477	DMTQ3BS	Hyperlipidaemia	5C80	Discontinued in Phase 2	[14]
CI-976	DMBO28J	Hyperlipidaemia	5C80	Discontinued in Phase 2	[15]
CL-283796	DM7LIDT	Hyperlipidaemia	5C80	Discontinued in Phase 2	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[1]
M-phase inducer phosphatase 1 (MPIP1)	TTLZS4Q	MPIP1_HUMAN	Inhibitor	[2]

References

• [1] Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85.
• [2] Design and synthesis of N-alkyl oxindolylidene acetic acids as a new class of potent Cdc25A inhibitors. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3350-3.
• [3] Handbook of Assay Development in Drug Discovery, Lisa K. Minor, 2013. Page(11).
• [4] Role of the Cdc25A phosphatase in human breast cancer. J Clin Invest. 2000 Sep;106(6):753-61.
• [5] Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1905-8.
• [6] Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4330-4.
• [7] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [8] 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.
• [9] 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.
• [10] Prospects for drug therapy for hyperlipoproteinaemia. Diabete Metab. 1995 Apr;21(2):139-46.
• [11] 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).
• [12] New advances in lipid-modifying therapies for reducing cardiovascular risk. Cardiology. 2002;97(2):59-66.
• [13] Effect of the acyl-CoA:cholesterol acyltransferase inhibitor, E5324, on experimental atherosclerosis in rabbits. Atherosclerosis. 1994 Jun;107(2):187-201.
• [14] 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.
• [15] Acyl-coenzyme A:cholesterol-acyltransferase (ACAT) inhibitors modulate monocyte adhesion to aortic endothelial cells. Atherosclerosis. 1995 Jan 6;112(1):7-17.
• [16] 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.