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

General Information of Drug (ID: DMOJAUI)

• Drug Name: JWH-251 Drug Info
• Synonyms: JWH-251; UNII-55H9NDH32M; 1-Pentyl-3-(2-methylphenylacetyl)indole; 864445-39-6; CHEMBL364820; 55H9NDH32M; 2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone; 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone; SCHEMBL2473611; JWH 251; DTXSID80235555; YBIPNGRKUAVSBG-UHFFFAOYSA-N; ZINC28463005; BDBM50170339; CCG-208751; FT-0670595; 1-(1-pentyl-1H-indol-3-yl)-2-o-tolylethanone

Indication

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

• Cross-matching ID:
  PubChem CID: 11616723
  CAS Number: CAS 864445-39-6
  TTD Drug ID: DMOJAUI

Molecule-Related Drug Atlas

Drug(s) Targeting Cannabinoid receptor 2 (CB2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Guanfacine extended release	DMB1CZ8	Attention deficit hyperactivity disorder	6A05.Z	Approved	[3]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[4]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[5]
KHK-6188	DMF6CTI	Neuropathic pain	8E43.0	Phase 2	[6]
LY-2828360	DMO8IEZ	Pain	MG30-MG3Z	Phase 2	[6]
APD371	DM3XT5V	Crohn disease	DD70	Phase 2	[7]
S-777469	DMZGNOJ	Atopic dermatitis	EA80	Phase 2	[8]
842166X	DMOV0AP	Pain	MG30-MG3Z	Phase 2	[9]
Beta-caryophyllene	DM7583A	Pain	MG30-MG3Z	Phase 2	[10]
Vicasinabin	DMF16CU	Diabetic retinopathy	9B71.0	Phase 2	[11]

Drug(s) Affected By Cannabinoid receptor 1 (CNR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[12]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[13]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[14]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[15]
Menthol	DMG2KW7	Back pain	ME84.Z	Approved	[16]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[17]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[18]
Norepinephrine	DMOUC09	Alopecia	ED70	Approved	[19]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[20]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 2 (CB2)	TTMSFAW	CNR2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cannabinoid receptor 1 (CNR1)	OTEALO6G	CNR1_HUMAN	Gene/Protein Processing	[2]

References

• [1] 1-Pentyl-3-phenylacetylindoles, a new class of cannabimimetic indoles. Bioorg Med Chem Lett. 2005 Sep 15;15(18):4110-3.
• [2] Finding order in chemical chaos - Continuing characterization of synthetic cannabinoid receptor agonists. Neuropharmacology. 2018 May 15;134(Pt A):73-81. doi: 10.1016/j.neuropharm.2017.10.041. Epub 2017 Nov 4.
• [3] Posttraining activation of CB1 cannabinoid receptors in the CA1 region of the dorsal hippocampus impairs object recognition long-term memory. Neurobiol Learn Mem. 2008 Sep;90(2):374-81.
• [4] Novel 1',1'-chain substituted hexahydrocannabinols: 9-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid r... J Med Chem. 2010 Oct 14;53(19):6996-7010.
• [5] Company report (Gwpharm)
• [6] Recent Development of CB2 Selective and Peripheral CB1/CB2 Cannabinoid Receptor Ligands. Current Medicinal Chemistry . 10/2013; 21(2).
• [7] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [8] Emerging drugs for atopic dermatitis. Expert Opin Emerg Drugs. 2009 Mar;14(1):165-79.
• [9] The agonist binding mechanism of human CB2 receptor studied by molecular dynamics simulation, free energy calculation and 3D-QSAR studies. Yao Xue Xue Bao. 2013 Sep;48(9):1436-49.
• [10] The cannabinoid CB1 receptor-selective phytocannabinoid beta-caryophyllene exerts analgesic effects in mouse models of inflammatory and neuropathic pain. Eur Neuropsychopharmacol. 2014 Apr;24(4):608-20.
• [11] Clinical pipeline report, company report or official report of Roche
• [12] Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
• [13] Cannabinoid receptor type I modulates alcohol-induced liver fibrosis. Mol Med. 2011;17(11-12):1285-94. doi: 10.2119/molmed.2011.00149. Epub 2011 Aug 19.
• [14] Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
• [15] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [16] Repurposing L-menthol for systems medicine and cancer therapeutics? L-menthol induces apoptosis through caspase 10 and by suppressing HSP90. OMICS. 2016 Jan;20(1):53-64.
• [17] Temozolomide induces activation of Wnt/-catenin signaling in glioma cells via PI3K/Akt pathway: implications in glioma therapy. Cell Biol Toxicol. 2020 Jun;36(3):273-278. doi: 10.1007/s10565-019-09502-7. Epub 2019 Nov 22.
• [18] Identification of mechanisms of action of bisphenol a-induced human preadipocyte differentiation by transcriptional profiling. Obesity (Silver Spring). 2014 Nov;22(11):2333-43.
• [19] Cannabinoid Type 1 Receptors Are Upregulated During Acute Activation of Brown Adipose Tissue. Diabetes. 2018 Jul;67(7):1226-1236. doi: 10.2337/db17-1366. Epub 2018 Apr 12.
• [20] Regulation of opioid and cannabinoid receptor genes in human neuroblastoma and T cells by the epigenetic modifiers trichostatin A and 5-aza-2'-deoxycytidine. Neuroimmunomodulation. 2012;19(3):180-6. doi: 10.1159/000331474. Epub 2012 Jan 18.
• [21] Activation of AIFM2 enhances apoptosis of human lung cancer cells undergoing toxicological stress. Toxicol Lett. 2016 Sep 6;258:227-236.