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

General Information of Drug (ID: DMLXOAQ)

• Drug Name: PMID23639540C13a Drug Info
• Synonyms: 1435615-18-1; GTPL8155; KS-00000UBW; MolPort-044-728-919; ZINC96270778; BDBM50434751; AKOS032946391; AK687595

Indication

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

• Cross-matching ID:
  PubChem CID: 60182393
  TTD Drug ID: DMLXOAQ

Molecule-Related Drug Atlas

Drug(s) Targeting Activin receptor-like kinase 2 (ALK-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
INCB00928	DMFG8TI	Anemia	3A00-3A9Z	Phase 2	[2]
TP-0184	DMJVZBC	Solid tumour/cancer	2A00-2F9Z	Phase 1	[3]
PMID27774822-Compound-Figure10Compound12	DMFAGOZ	N. A.	N. A.	Patented	[4]
PMID27774822-Compound-Figure10Compound4	DMMJVTW	N. A.	N. A.	Patented	[4]
PMID23639540C13d	DMSTQGH	Discovery agent	N.A.	Investigative	[1]
PMID23639540C13r	DMHBZ0N	Discovery agent	N.A.	Investigative	[1]
LDN-214117	DM57Z8J	Discovery agent	N.A.	Investigative	[5]
ML347	DMR8N36	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Activin receptor-like kinase-1 (ACVRL1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PF-03446962	DMTJWNE	Solid tumour/cancer	2A00-2F9Z	Phase 2	[6]
PMID23639540C13d	DMSTQGH	Discovery agent	N.A.	Investigative	[1]
PMID23639540C13r	DMHBZ0N	Discovery agent	N.A.	Investigative	[1]
LDN-214117	DM57Z8J	Discovery agent	N.A.	Investigative	[5]
ML347	DMR8N36	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting AMP-activated protein kinase (AMPK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acadesine	DM1RMF5	Diabetic complication	5A2Y	Phase 3	[7]
MB-11055	DM3RBJW	Fatty liver disease	DB92.Z	Phase 2	[8]
Imeglimin	DMMQFG2	Diabetic complication	5A2Y	Phase 2	[9]
PXL-770	DMNSRY7	Non-alcoholic fatty liver disease	DB92	Phase 2	[10]
ENERGI-F701	DMMIHSO	Alopecia	ED70	Phase 2	[11]
O-304	DMXM34I	Type 2 diabetes	5A11	Phase 2	[12]
IM156	DM4MY9C	Solid tumour/cancer	2A00-2F9Z	Phase 1	[13]
Phenformin	DMQ52JG	Diabetic complication	5A2Y	Withdrawn from market	[14]
4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole	DMN9YOB	Discovery agent	N.A.	Investigative	[15]
SU 6656	DMF1P6W	Discovery agent	N.A.	Investigative	[16]

Drug(s) Targeting TGF-beta receptor type II (TGFBR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
TGF-BR2 mab	DMWBQ2Z	Solid tumour/cancer	2A00-2F9Z	Phase 1	[17]
PMID23639540C13d	DMSTQGH	Discovery agent	N.A.	Investigative	[1]
PMID16539403C15b	DMU2X59	Discovery agent	N.A.	Investigative	[18]
LY2109761	DMAWTG3	Discovery agent	N.A.	Investigative	[19]

Drug(s) Targeting Bone morphogenetic protein receptor (BMPR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID23639540C13d	DMSTQGH	Discovery agent	N.A.	Investigative	[1]
PMID23639540C13r	DMHBZ0N	Discovery agent	N.A.	Investigative	[1]
LDN-214117	DM57Z8J	Discovery agent	N.A.	Investigative	[5]
ML347	DMR8N36	Discovery agent	N.A.	Investigative	[1]
AA-184	DMCN4ZD	Kidney injury	NB92.0	Investigative	[20]
AA-204	DMBGTX9	Kidney disease	GC2Z	Investigative	[20]
AA-123	DMW73A8	Prostate cancer	2C82.0	Investigative	[20]
AA-166	DM2BMAZ	Articular cartilage disorder	FA34.Y	Investigative	[20]

Drug(s) Targeting Vascular endothelial growth factor receptor 2 (KDR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[21]
Romiplostim	DM3U7SZ	Thrombocytopenia	3B64	Approved	[22]
Regorafenib	DMHSY1I	Gastrointestinal stromal tumour	2B5B	Approved	[23]
Sunitinib	DMCBJSR	Acute undifferentiated leukemia		Approved	[24]
Axitinib	DMGVH6N	Renal cell carcinoma	2C90	Approved	[25]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[26]
Pazopanib HCl	DM6U9CQ	Renal cell carcinoma	2C90	Approved	[27]
Fruquintinib	DMHOSCQ	Colorectal cancer	2B91.Z	Approved	[28]
Cabozantinib	DMIYDT4	Medullary thyroid gland carcinoma		Approved	[29]
Tivozanib	DMUKC5L	Renal cell carcinoma	2C90	Approved	[30]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Activin receptor-like kinase 2 (ALK-2)	TTJNBQA	ACVR1_HUMAN	Inhibitor	[1]
Activin receptor-like kinase-1 (ACVRL1)	TTGYPTC	ACVL1_HUMAN	Inhibitor	[1]
AMP-activated protein kinase (AMPK)	TTLAFZV	AAPK1_HUMAN; AAKB1_HUMAN; AAKG1_HUMAN	Inhibitor	[1]
Bone morphogenetic protein receptor (BMPR2)	TTGKF90	BMPR2_HUMAN	Inhibitor	[1]
TGF-beta receptor type II (TGFBR2)	TTZE3P7	TGFR2_HUMAN	Inhibitor	[1]
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe. Bioorg Med Chem Lett. 2013 Jun 1;23(11):3248-52.
• [2] Clinical pipeline report, company report or official report of Incyte.
• [3] Clinical pipeline report, company report or official report of Sumitomo Dainippon Pharma.
• [4] Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 2.Expert Opin Ther Pat. 2017 Feb;27(2):145-161.
• [5] Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. J Med Chem. 2014 Oct 9;57(19):7900-15.
• [6] ALK1 as an emerging target for antiangiogenic therapy of cancer. Blood. 2011 June 30; 117(26): 6999-7006.
• [7] Acadesine, an adenosine-regulating agent with the potential for widespread indications. Expert Opin Pharmacother. 2008 Aug;9(12):2137-44.
• [8] Antidiabetes and antiobesity effect of cryptotanshinone via activation of AMP-activated protein kinase.Mol Pharmacol.2007 Jul;72(1):62-72.
• [9] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032542)
• [10] Clinical pipeline report, company report or official report of Poxel SA.
• [11] Clinical pipeline report, company report or official report of Energenesis Biomedical.
• [12] Clinical pipeline report, company report or official report of Betagenon.
• [13] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [14] Complementary regulation of TBC1D1 and AS160 by growth factors, insulin and AMPK activators. Biochem J. 2008 Jan 15;409(2):449-59.
• [15] Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole. J Med Chem. 2004 Dec 2;47(25):6239-47.
• [16] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
• [17] 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: 1795).
• [18] Dihydropyrrolopyrazole transforming growth factor-beta type I receptor kinase domain inhibitors: a novel benzimidazole series with selectivity vers... J Med Chem. 2006 Mar 23;49(6):2138-42.
• [19] LY2109761, a novel transforming growth factor beta receptor type I and type II dual inhibitor, as a therapeutic approach to suppressing pancreatic cancer metastasis. Mol Cancer Ther. 2008 Apr;7(4):829-40.
• [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. (Target id: 1794).
• [21] Preclinical overview of sorafenib, a multikinase inhibitor that targets both Raf and VEGF and PDGF receptor tyrosine kinase signaling.Mol Cancer Ther.2008 Oct;7(10):3129-40.
• [22] Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors. J Med Chem. 2002 Dec 19;45(26):5687-93.
• [23] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [24] 2006 drug approvals: finding the niche. Nat Rev Drug Discov. 2007 Feb;6(2):99-101.
• [25] Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
• [26] 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.
• [27] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
• [28] Discovery of fruquintinib, a potent and highly selective small molecule inhibitor of VEGFR 1, 2, 3 tyrosine kinases for cancer therapy. Cancer Biol Ther. 2014;15(12):1635-45.
• [29] Clinical pipeline report, company report or official report of Exelixis (2011).
• [30] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services