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

General Information of Drug (ID: DM6JVR5)

• Drug Name: PMID26161698-Compound-18 Drug Info
• Cross-matching ID:
  PubChem CID: 136273305
  TTD Drug ID: DM6JVR5

Molecule-Related Drug Atlas

Drug(s) Targeting Cyclin-dependent kinase 5 (CDK5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[2]
Roscovitine derivative 1	DMD1G3Z	N. A.	N. A.	Patented	[1]
Tricyclic benzimidazole derivative 1	DM5SD9E	N. A.	N. A.	Patented	[1]
4-(thiazol-5-yl)-pyrimidine derivative 2	DMMQFCN	N. A.	N. A.	Patented	[1]
Pyrazolo[1,5-a]-1,3,5-triazine derivative 1	DMOK7CW	N. A.	N. A.	Patented	[1]
Naphthyridine and isoquinoline derivative 1	DMTGIP7	N. A.	N. A.	Patented	[1]
Flavonoid derivative 7	DM6A9UR	N. A.	N. A.	Patented	[1]
L-751250	DMOERXK	Obesity	5B81	Preclinical	[3]
Olomoucine	DMNAFG1	N. A.	N. A.	Terminated	[3]
aloisine A	DM5U1LN	Discovery agent	N.A.	Investigative	[4]

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	[5]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[6]
Lithium	DMZ3OU6	Fragile X syndrome	LD55	Phase 2	[7]
Tideglusib	DME4LA1	Osteosarcoma	2B51	Phase 2	[8]
9-ING-41	DM57TY3	Myelofibrosis	2A20.2	Phase 2	[9]
Neu-120	DMXKOUC	Parkinson disease	8A00.0	Phase 1/2	[10]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[2]
CHIR-99021	DMB8MNU	Allergic inflammation	4A80-4A85	Patented	[11]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[12]
AR-A014418	DMUPN01	Ovarian cancer	2C73	Patented	[13]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 5 (CDK5)	TTL4Q97	CDK5_HUMAN	Inhibitor	[1]
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[1]

References

• [1] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
• [2] 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Bioorg Med Chem Lett. 2004 Jan 19;14(2):413-6.
• [3] Pharmacological inhibitors of cyclin-dependent kinases. Trends Pharmacol Sci. 2002 Sep;23(9):417-25.
• [4] 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.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
• [7] 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.
• [8] Evidence for irreversible inhibition of glycogen synthase kinase-3beta by tideglusib. J Biol Chem. 2012 Jan 6;287(2):893-904.
• [9] 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.
• [10] Company report (Neurim Pharmaceuticals)
• [11] 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.
• [12] 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.
• [13] Fragment and knowledge-based design of selective GSK-3beta inhibitors using virtual screening models. Eur J Med Chem. 2009 Jun;44(6):2361-71.