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

General Information of Drug (ID: DMYLVQF)

• Drug Name: indirubin deriv. 8a Drug Info

Indication

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

• Cross-matching ID:
  PubChem CID: 135398521
  CAS Number: CAS 667463-85-6
  TTD Drug ID: DMYLVQF

Molecule-Related Drug Atlas

Drug(s) Targeting Glycogen synthase kinase-3 beta (GSK-3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AMO-02	DMJRU3A	Myotonic dystrophy	8C71.0	Phase 2/3	[2]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[3]
Lithium	DMZ3OU6	Bipolar disorder	6A60	Phase 2	[4]
Tideglusib	DME4LA1	Alzheimer disease	8A20	Phase 2	[5]
9-ING-41	DM57TY3	Myelofibrosis	2A20.2	Phase 2	[6]
Neu-120	DMXKOUC	Parkinson disease	8A00.0	Phase 1/2	[7]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[8]
CHIR-99021	DMB8MNU	Allergic inflammation	4A80-4A85	Patented	[9]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[10]
AR-A014418	DMUPN01	Ovarian cancer	2C73	Patented	[11]

Drug(s) Targeting GSK3A messenger RNA (GSK3A mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
aloisine A	DM5U1LN	Discovery agent	N.A.	Investigative	[12]
CHIR-98014	DMVEBT6	Discovery agent	N.A.	Investigative	[9]
LEUCETTAMINE B	DMFQEWM	Discovery agent	N.A.	Investigative	[13]
ISIS 116625	DMIJES1	Discovery agent	N.A.	Investigative	[14]
ISIS 116648	DMUOB3S	Discovery agent	N.A.	Investigative	[14]
ISIS 116632	DMW2Q4T	Discovery agent	N.A.	Investigative	[14]
ISIS 116631	DM2X5RT	Discovery agent	N.A.	Investigative	[14]
ISIS 116670	DM9R51M	Discovery agent	N.A.	Investigative	[14]
ISIS 116654	DMBJU2X	Discovery agent	N.A.	Investigative	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[1]
GSK3A messenger RNA (GSK3A mRNA)	TTQWAU1	GSK3A_HUMAN	Inhibitor	[1]

References

• [1] Structural basis for the synthesis of indirubins as potent and selective inhibitors of glycogen synthase kinase-3 and cyclin-dependent kinases. J Med Chem. 2004 Feb 12;47(4):935-46.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
• [4] The GSK3 kinase inhibitor lithium produces unexpected hyperphosphorylation of -catenin, a GSK3 substrate, in human glioblastoma cells. Biol Open. 2018 Jan 26;7(1):bio030874.
• [5] Evidence for irreversible inhibition of glycogen synthase kinase-3beta by tideglusib. J Biol Chem. 2012 Jan 6;287(2):893-904.
• [6] 9-ING-41, a small molecule inhibitor of GSK-3beta, potentiates the effects of anticancer therapeutics in bladder cancer. Sci Rep. 2019 Dec 27;9(1):19977.
• [7] Company report (Neurim Pharmaceuticals)
• [8] 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Bioorg Med Chem Lett. 2004 Jan 19;14(2):413-6.
• [9] Selective glycogen synthase kinase 3 inhibitors potentiate insulin activation of glucose transport and utilization in vitro and in vivo. Diabetes. 2003 Mar;52(3):588-95.
• [10] Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3beta inhibitors through virtual screening. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7232-6.
• [11] Fragment and knowledge-based design of selective GSK-3beta inhibitors using virtual screening models. Eur J Med Chem. 2009 Jun;44(6):2361-71.
• [12] Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects. J Med Chem. 2003 Jan 16;46(2):222-36.
• [13] Synthesis and preliminary biological evaluation of new derivatives of the marine alkaloid leucettamine B as kinase inhibitors. Eur J Med Chem. 2010 Feb;45(2):805-10.
• [14] US patent application no. 6,316,259, Antisense inhibition of glycogen synthase kinase 3 alpha expression.