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

General Information of Drug (ID: DMBQIEF)

• Drug Name: BX-517 Drug Info
• Synonyms: BX517; BX-517; 850717-64-5; UNII-SYV8VN8W5K; SYV8VN8W5K; pdk-1 inhibitors; BX517(PDK1 inhibitor2); Indolinone based inhibitor, 4i; SCHEMBL5567818; CHEMBL228654; 5-Ureido-3-(1-(pyrrol-2-yl)ethylidene)indolin-2-one; BDBM17004; MolPort-046-033-615; BCP16225; EX-A2243; ZINC14962724; AKOS032945106; CS-6066; Urea, N-(2,3-dihydro-2-oxo-3-((3Z)-1-(1H-pyrrol-2-yl)ethylidene)-1H-indol-5-yl)-; Urea, N-(2,3-dihydro-2-oxo-3-(1-(1H-pyrrol-2-yl)ethylidene)-1H-indol-5-yl)-; Urea, (2,3-dihydro-2-oxo-3-(1-(1H-pyrrol-2-yl)ethylidene)-1H-indol-5-

Indication

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

• Cross-matching ID:
  PubChem CID: 11161844
  CAS Number: CAS 946843-63-6
  TTD Drug ID: DMBQIEF

Molecule-Related Drug Atlas

Drug(s) Targeting PDK-1 messenger RNA (PDK-1 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NU-6102	DMMOFKD	Discovery agent	N.A.	Investigative	[2]
(Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one	DM27WDP	Discovery agent	N.A.	Investigative	[1]
ISIS 29475	DMEBQUN	Discovery agent	N.A.	Investigative	[3]
ISIS 29233	DMGV4O7	Discovery agent	N.A.	Investigative	[3]
ISIS 29471	DMG4RMZ	Discovery agent	N.A.	Investigative	[3]
ISIS 29470	DMPCK7Y	Discovery agent	N.A.	Investigative	[3]
ISIS 29477	DMKQMXV	Discovery agent	N.A.	Investigative	[3]
ISIS 29239	DMHQF1J	Discovery agent	N.A.	Investigative	[3]
SU-6689	DMDNA23	Discovery agent	N.A.	Investigative	[1]
ISIS 29257	DMUM2H1	Discovery agent	N.A.	Investigative	[3]

Drug(s) Targeting RAC-alpha serine/threonine-protein kinase (AKT1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Capivasertib	DM9SKW8	Breast cancer	2C60-2C65	Approved	[4]
Enzastaurin	DM5H0R9	Diffuse large B-cell lymphoma	2A81	Phase 3	[4]
GDC-0068	DMWBZJD	Breast cancer	2C60-2C65	Phase 3	[4]
CI-1033	DMSI8N3	Lymphoma	2A80-2A86	Phase 2	[5]
CMX-2043	DMPSCVY	Cardiac disease	BA00-BE2Z	Phase 2	[6]
ARQ 092	DM5WK0J	Proteus syndrome	LD2C	Phase 2	[7]
GSK2110183	DMZHB37	leukaemia	2A60-2B33	Phase 2	[8]
RX-0201	DMTBAV3	Pancreatic cancer	2C10	Phase 2	[9]
PTX-200	DM0ZIT2	Breast cancer	2C60-2C65	Phase 2	[4]
Triciribine prodrug	DMBN1XS	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[8]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PDK-1 messenger RNA (PDK-1 mRNA)	TTYMGWX	PDPK1_HUMAN	Inhibitor	[1]
RAC-alpha serine/threonine-protein kinase (AKT1)	TTWTSCV	AKT1_HUMAN	Inhibitor	[1]

References

• [1] Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8.
• [2] Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7.
• [3] US patent application no. 6,124,272, Antisense modulation of PDK-1 expression.
• [4] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [5] A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
• [6] Pre-clinical and Clinical Safety Studies of CMX-2043: a cytoprotective lipoic acid analogue for ischaemia-reperfusion injury. Basic Clin Pharmacol Toxicol. 2014 Nov;115(5):456-64.
• [7] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [8] 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: 1479).
• [9] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.