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

General Information of Drug (ID: DMXULGK)

• Drug Name: Neplanocin A Drug Info
• Synonyms: 72877-50-0; NPC-A; A-11079-B1B; NEOPLANOCIN A; (1s,2r,5r)-5-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; NSC 316458; CHEMBL8771; (-)-9-(trans-2,trans-3-Dihydroxy-4-(hydroxymethyl)-cyclopent-4-enyl)-adenine; 4-Cyclopentene-1,2-diol, 3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1S,2R,3R)-; (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; Nephanocin A; AC1Q4VG9; AC1L2J1E; SCHEMBL10469277; CTK5D6979; MolPort-044-561-069; ZINC3832328; BDBM50006222; CCG-208688; DIBRT

Indication

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

• Cross-matching ID:
  PubChem CID: 72968
  CAS Number: CAS 72877-50-0
  TTD Drug ID: DMXULGK

Molecule-Related Drug Atlas

Drug(s) Targeting Thyroid hormone receptor (THR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
B7-2/GM-CSF	DM0LKHV	Dementia	6D80-6D86	Phase 1	[3]
KB-5359	DMM7S3V	Lipid metabolism disorder	5C52.Z	Terminated	[4]
GC-14	DMYMGBA	Discovery agent	N.A.	Investigative	[1]
NH-3	DMYAB79	Discovery agent	N.A.	Investigative	[1]
NH-4	DMSUZFO	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Adenosylhomocysteinase (AHCY)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ARISTEROMYCIN	DMRXB74	N. A.	N. A.	Terminated	[5]
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[6]
2-Propanol, Isopropanol	DML5O0H	Discovery agent	N.A.	Investigative	[7]
5'-deoxy-5'-ureidoadenosine	DM8IQX4	Discovery agent	N.A.	Investigative	[8]
5(E)-(5'-Deoxyadenosin-5'-ylidene)pentanoic acid	DM1IGOD	Discovery agent	N.A.	Investigative	[9]
5-methylenearisteromycin	DMIQ1X3	Discovery agent	N.A.	Investigative	[5]
NORARISTEROMYCIN	DMZ9024	Discovery agent	N.A.	Investigative	[10]
D-Eritadenine	DM2XT7S	N. A.	N. A.	Investigative	[6]
5'-S-ethyl-5'-thioadenosine	DM0PQH1	Discovery agent	N.A.	Investigative	[7]
FLUORO-NEPLANOCIN A	DM0LR7G	Discovery agent	N.A.	Investigative	[11]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosylhomocysteinase (AHCY)	TTE2KUJ	SAHH_HUMAN	Inhibitor	[2]
Thyroid hormone receptor (THR)	TTQWUPT	NOUNIPROTAC	Antagonist	[1]

References

• [1] Design of thyroid hormone receptor antagonists from first principles. J Steroid Biochem Mol Biol. 2002 Dec;83(1-5):59-73.
• [2] Molecular approaches for the treatment of hemorrhagic fever virus infections. Antiviral Res. 1993 Sep;22(1):45-75.
• [3] Sobetirome: a case history of bench-to-clinic drug discovery and development. Heart Fail Rev. 2010 Mar;15(2):177-82.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] Synthesis of 2-modified aristeromycins and their analogs as potent inhibitors against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase. Bioorg Med Chem. 2008 Apr 1;16(7):3809-15.
• [6] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [7] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [8] Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active ... Bioorg Med Chem Lett. 2007 Aug 15;17(16):4456-9.
• [9] Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl u... Bioorg Med Chem. 2008 May 15;16(10):5424-33.
• [10] Synthesis of 4'-modified noraristeromycins to clarify the effect of the 4'-hydroxyl groups for inhibitory activity against S-adenosyl-L-homocystein... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2615-8.
• [11] Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-a... Bioorg Med Chem Lett. 2004 Nov 15;14(22):5641-4.