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

General Information of Drug (ID: DMBMYKQ)

• Drug Name: PMID22564207C25b Drug Info
• Synonyms: CEP-28122; 1022958-60-6; GTPL8139; EX-A1541; ZINC84654307; BDBM50389154; CS-5176; NCGC00387821-03; HY-18030

Indication

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

• Cross-matching ID:
  PubChem CID: 57325421
  CAS Number: CAS 1431697-87-8
  TTD Drug ID: DMBMYKQ

Molecule-Related Drug Atlas

Drug(s) Targeting Ribosomal protein S6 kinase alpha-3 (RSK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID27410995-Compound-Figure3j	DMJRZLB	N. A.	N. A.	Patented	[2]
Indole-based analog 14	DMQURWZ	N. A.	N. A.	Patented	[2]
Pyrrolo[2,3-d]pyrimidine derivative 35	DMXU08A	N. A.	N. A.	Patented	[2]
BI-D1870	DMK3SAF	Chronic lymphocytic leukaemia	2A82.0	Preclinical	[3]
PMID22765894C8h	DMH5RFU	Discovery agent	N.A.	Investigative	[4]
BIX 02565	DMNAX1Q	Discovery agent	N.A.	Investigative	[5]

Drug(s) Targeting Proto-oncogene c-Fer (FER)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24432909C8e	DMEGAZS	Discovery agent	N.A.	Investigative	[6]

Drug(s) Targeting Omphalocele kinase 1 (NUAK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
WZ4003	DMP9RBK	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Ribosomal protein S6 kinase alpha-2 (RSK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BI-D1870	DMK3SAF	Chronic lymphocytic leukaemia	2A82.0	Preclinical	[3]

Drug(s) Targeting Serine/threonine-protein kinase Chk2 (RAD53)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
E7850	DM8K5IF	Solid tumour/cancer	2A00-2F9Z	Phase 2	[8]
PMID27410995-Compound-Figure3j	DMJRZLB	N. A.	N. A.	Patented	[2]
XL844	DMHTG38	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 1	[9]
DEBROMOHYMENIALDISINE	DMDLER8	Discovery agent	N.A.	Investigative	[10]
2-(4-Phenoxy-phenyl)-1H-benzoimidazol-5-ylamine	DMSPOAT	Discovery agent	N.A.	Investigative	[11]
PV-1019	DMRI1LF	Solid tumour/cancer	2A00-2F9Z	Investigative	[12]
5-Nitro-2-(4-phenoxy-phenyl)-1H-benzoimidazole	DM26MIC	Discovery agent	N.A.	Investigative	[11]
CCT-241533	DMZXFT9	Solid tumour/cancer	2A00-2F9Z	Investigative	[13]
Chk2 inhibitor II	DMNSPFG	Discovery agent	N.A.	Investigative	[14]

Drug(s) Targeting Proto-oncogene c-Fes (FES)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24432909C8e	DMEGAZS	Discovery agent	N.A.	Investigative	[6]

Drug(s) Targeting ALK tyrosine kinase receptor (ALK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[15]
Lorlatinib	DMICDLV	Non-small-cell lung cancer	2C25.Y	Approved	[16]
Entrectinib	DMMPTLH	Non-small-cell lung cancer	2C25	Approved	[17]
Brigatinib	DM7W94S	Anaplastic large cell lymphoma	2A90.A	Approved	[18]
Repotrectinib	DM9FB2T	Non-small-cell lung cancer	2C25	Approved	[19]
Ceritinib	DMB920Z	Non-small-cell lung cancer	2C25.Y	Approved	[20]
Alectinib	DMP1I6Y	Lung cancer	2C25.0	Approved	[21]
Ensartinib	DMIKDCQ	Non-small-cell lung cancer	2C25.Y	Phase 3	[19]
PF-06463922	DMKM7EW	Non-small-cell lung cancer	2C25.Y	Phase 2	[22]
AP26113	DMYBQEF	Solid tumour/cancer	2A00-2F9Z	Phase 2	[9]

Drug(s) Targeting Ribosomal protein S6 kinase alpha-6 (RSK6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
US10081632, Compound 25	DM3BDHN	N. A.	N. A.	Patented	[23]
CID 138805970	DMINXMY	N. A.	N. A.	Patented	[23]
BI-D1870	DMK3SAF	Chronic lymphocytic leukaemia	2A82.0	Preclinical	[3]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ALK tyrosine kinase receptor (ALK)	TTPMQSO	ALK_HUMAN	Inhibitor	[1]
Omphalocele kinase 1 (NUAK1)	TT65FL0	NUAK1_HUMAN	Inhibitor	[1]
Proto-oncogene c-Fer (FER)	TTRA9G0	FER_HUMAN	Inhibitor	[1]
Proto-oncogene c-Fes (FES)	TTLBY21	FES_HUMAN	Inhibitor	[1]
Ribosomal protein S6 kinase alpha-2 (RSK2)	TT0ZW9O	KS6A2_HUMAN	Inhibitor	[1]
Ribosomal protein S6 kinase alpha-3 (RSK3)	TTUM2ZR	KS6A3_HUMAN	Inhibitor	[1]
Ribosomal protein S6 kinase alpha-6 (RSK6)	TT3KYWB	KS6A6_HUMAN	Inhibitor	[1]
Serine/threonine-protein kinase Chk2 (RAD53)	TT9ABMF	CHK2_HUMAN	Inhibitor	[1]

References

• [1] Discovery of an orally efficacious inhibitor of anaplastic lymphoma kinase. J Med Chem. 2012 May 24;55(10):4580-93.
• [2] Ribosomal S6 kinase (RSK) modulators: a patent review.Expert Opin Ther Pat. 2016 Sep;26(9):1061-78.
• [3] BI-D1870 is a specific inhibitor of the p90 RSK (ribosomal S6 kinase) isoforms in vitro and in vivo. Biochem J. 2007 Jan 1;401(1):29-38.
• [4] The design, synthesis, and biological evaluation of potent receptor tyrosine kinase inhibitors. Bioorg Med Chem Lett. 2012 Aug 1;22(15):4979-85.
• [5] Indole RSK inhibitors. Part 2: optimization of cell potency and kinase selectivity. Bioorg Med Chem Lett. 2012 Jan 1;22(1):738-42.
• [6] Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib. J Med Chem.> 2014 Feb 27;57(4):1170-87.
• [7] Characterization of WZ4003 and HTH-01-015 as selective inhibitors of the LKB1-tumour-suppressor-activated NUAK kinases. Biochem J. 2014 Jan 1;457(1):215-25.
• [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: 1988).
• [9] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [10] Potent inhibition of checkpoint kinase activity by a hymenialdisine-derived indoloazepine. Bioorg Med Chem Lett. 2004 Aug 16;14(16):4319-21.
• [11] Checkpoint kinase inhibitors: SAR and radioprotective properties of a series of 2-arylbenzimidazoles. J Med Chem. 2005 Mar 24;48(6):1873-85.
• [12] Cellular inhibition of checkpoint kinase 2 (Chk2) and potentiation of camptothecins and radiation by the novel Chk2 inhibitor PV1019 [7-nitro-1H-indole-2-carboxylic acid {4-[1-(guanidinohydrazone)-ethyl]-phenyl}-amide]. J Pharmacol Exp Ther. 2009 Dec;331(3):816-26.
• [13] CCT241533 Is a Potent and Selective Inhibitor of CHK2 that Potentiates the Cytotoxicity of PARP Inhibitors. Cancer Res. 2011 Jan 15;71(2):463-72.
• [14] A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8.
• [15] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [16] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [17] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [18] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [19] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [20] 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. (Ligand id: 7397).
• [21] CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant. Cancer Cell. 2011 May 17;19(5):679-90.
• [22] PF-06463922, an ALK/ROS1 Inhibitor, Overcomes Resistance to First and Second Generation ALK Inhibitors in Preclinical Models. Cancer Cell. 2015 Jul 13;28(1):70-81.
• [23] Substituted tetrahydropyrido[3,2:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors. US9771366.