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

General Information of Drug (ID: DMUPN01)

• Drug Name: AR-A014418 Drug Info
• Synonyms: 487021-52-3; GSK-3beta Inhibitor VIII; 1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea; 1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea; A Inhibitor VIII; N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA; UNII-87KSH90Q6D; AR-AO 14418; SN 4521; AR-A 014418; CHEMBL259850; 87KSH90Q6D; N-[(4-Methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)urea; AK175829; C12H12N4O4S; N-(4-Methoxybenzyl)-N& -(5-nitro-1,3-thiazol-2-yl)urea; AR 014418; GSK 3be

Indication

Disease Entry	ICD 11	Status	REF
Ovarian cancer	2C73	Patented	[1]

• Cross-matching ID:
  PubChem CID: 448014
  CAS Number: CAS 487021-52-3
  TTD Drug ID: DMUPN01

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	[3]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[1]
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]
PMID26161698-Compound-18	DM6JVR5	N. A.	N. A.	Patented	[11]

Drug(s) Targeting Glycogen synthase kinase-3 alpha (GSK-3A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[12]
LY2090314	DMTBFE4	Acute myeloid leukaemia	2A60	Phase 2	[1]
Lithium	DMZ3OU6	Bipolar disorder	6A60	Phase 2	[4]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[1]
CHIR-99021	DMB8MNU	Allergic inflammation	4A80-4A85	Patented	[1]
TDZD-8	DMG6Q45	Malignant glioma	2A00.0	Patented	[1]
PMID27828716-Compound-21	DMO1NAR	N. A.	N. A.	Patented	[1]
Thiadiazolidindione derivative 2	DM5AUL0	N. A.	N. A.	Patented	[1]
PMID27828716-Compound-18	DMNR6KL	N. A.	N. A.	Patented	[1]
PMID27828716-Compound-BIO-acetoxime	DMUM5L6	Malignant glioma	2A00.0	Patented	[1]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Not Available	[1]
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[2]

References

• [1] Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
• [2] Fragment and knowledge-based design of selective GSK-3beta inhibitors using virtual screening models. Eur J Med Chem. 2009 Jun;44(6):2361-71.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [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] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
• [12] Challenges and new opportunities in the investigation of new drug therapies to treat frontotemporal dementia. Expert Opin Ther Targets. 2008 Nov;12(11):1367-76.