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

General Information of Drug (ID: DMKMESD)

• Drug Name: N-(3-Benzooxazol-7-yl-propyl)-butyramide Drug Info
• Synonyms: CHEMBL124914; N-(3-Benzooxazol-7-yl-propyl)-butyramide

Indication

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

• Cross-matching ID:
  PubChem CID: 44349108
  TTD Drug ID: DMKMESD

Molecule-Related Drug Atlas

Drug(s) Targeting Melatonin receptor type 1B (MTNR1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ramelteon	DM7IW9J	Insomnia	7A00-7A0Z	Approved	[2]
Tasimelteon	DMLOQ1V	Insomnia	7A00-7A0Z	Approved	[3]
VLB-01	DMQGV5P	Epilepsy	8A60-8A68	Phase 3	[4]
2-iodo-melatonin	DMSEIUP	Discovery agent	N.A.	Investigative	[5]
N-(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)-acetamide	DMWC70I	Discovery agent	N.A.	Investigative	[6]
5-methoxycarbonylamino-N-acetyltryptamine	DMCZSP3	Discovery agent	N.A.	Investigative	[7]
N-(3-(2-ethoxy-5-methoxyphenyl)propyl)acetamide	DMLWGPC	Discovery agent	N.A.	Investigative	[8]
Beta-methylmelatonin	DMKH32S	Discovery agent	N.A.	Investigative	[9]
UCM-454	DMSVJFG	Discovery agent	N.A.	Investigative	[10]
N-(3-(4-hydroxy-3-methoxyphenyl)propyl)acetamide	DMILWPS	Discovery agent	N.A.	Investigative	[8]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melatonin receptor type 1B (MTNR1B)	TT32JK8	MTR1B_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and structure-activity relationship of novel benzoxazole derivatives as melatonin receptor agonists. Bioorg Med Chem Lett. 2004 Jul 16;14(14):3799-802.
• [2] MT1 and MT2 melatonin receptors: ligands, models, oligomers, and therapeutic potential. J Med Chem. 2014 Apr 24;57(8):3161-85.
• [3] 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: 7393).
• [4] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [5] Synthesis of nitroindole derivatives with high affinity and selectivity for melatoninergic binding sites MT(3). J Med Chem. 2002 Apr 25;45(9):1853-9.
• [6] Mapping the melatonin receptor. 2. synthesis and biological activity of indole derived melatonin analogues with restricted conformations of the C-3 amidoethane side chain, Bioorg. Med. Chem. Lett. 4(13):1559-1564 (1994).
• [7] Design and synthesis of benzofuranic derivatives as new ligands at the melatonin-binding site MT3. Bioorg Med Chem. 2008 May 1;16(9):4954-62.
• [8] Synthesis of substituted N-[3-(3-methoxyphenyl)propyl] amides as highly potent MT(2)-selective melatonin ligands. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2582-5.
• [9] Mapping the melatonin receptor. 7. Subtype selective ligands based on beta-substituted N-acyl-5-methoxytryptamines and beta-substituted N-acyl-5-me... J Med Chem. 2006 Jun 15;49(12):3509-19.
• [10] 2-[(2,3-dihydro-1H-indol-1-yl)methyl]melatonin analogues: a novel class of MT2-selective melatonin receptor antagonists. J Med Chem. 2009 Feb 12;52(3):826-33.