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

General Information of Drug (ID: DM5ARHI)

• Drug Name: DELTA 8-TETRAHYDROCANNOBINOL Drug Info
• Synonyms: 5957-75-5; UNII-B49D0HH807; DELTA 8-TETRAHYDROCANNOBINOL; CHEMBL267227; B49D0HH807; delta8-THC; delta(sup 8)-Thc; delta(sup 6)-Thc; delta-(sup6)-THC; delta-(sup8)-THC; delta6-Tetrahydrocannabinol; delta-6-THC; (-)-delta8-Tetrahydrocannabinol; Cannabinol, delta1(6)-tetrahydro-; delta1(6)-trans-Tetrahydrocannabinol; BRN 0023921; 1-trans-delta-(sup8)-Tetrahydrocannabinol; 1-trans-delta(sup 8)-Tetrahydrocannabinol; (-)-delta(sup 8)-trans-Tetrahydrocannabinol; (-)-delta-(sup8)-trans-Tetrahydrocannabinol; Cannabinol, 1-trans-delta(s

Indication

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

• Cross-matching ID:
  PubChem CID: 638026
  CAS Number: CAS 5957-75-5
  TTD Drug ID: DM5ARHI

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) Targeting Cannabinoid receptor 1 (CB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[12]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[4]
Orlistat	DMRJSP8	Obesity	5B81	Approved	[13]
SR141716A	DMCO5JZ	Obesity	5B81	Approved	[14]
Tebipenem	DMVSX6O	Urinary tract infection	GC08	Phase 3	[15]
Conatumumab	DM2UOSN	Colorectal cancer	2B91.Z	Phase 2	[16]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[5]
SR-147778	DMNAECP	Obesity	5B81	Phase 2	[17]
Nimacimab	DM21Z68	Diabetic nephropathy	GB61.Z	Phase 2	[18]
AEF0117	DMQ1GH4	Marijuana use disorder	6C41	Phase 2	[19]

Drug(s) Affected By Cytochrome P450 2J2 (CYP2J2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nitrendipine	DM21C09	Hypertension	BA00-BA04	Approved	[20]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[21]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[22]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[23]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[24]
Nisoldipine	DM7ISKJ	Hypertension	BA00-BA04	Approved	[20]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[25]
Amlodipine	DMBDAZV	Angina pectoris	BA40	Approved	[20]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[26]
Gemfibrozil	DMD8Q3J	Hyperlipidaemia	5C80	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 1 (CB1)	TT6OEDT	CNR1_HUMAN	Inhibitor	[1]
Cannabinoid receptor 2 (CB2)	TTMSFAW	CNR2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2J2 (CYP2J2)	OTJBTEH8	CP2J2_HUMAN	Regulation of Drug Effects	[2]

References

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• [2] Cross-talk of cannabinoid and endocannabinoid metabolism is mediated via human cardiac CYP2J2. J Inorg Biochem. 2018 Jul;184:88-99. doi: 10.1016/j.jinorgbio.2018.03.016. Epub 2018 Apr 7.
• [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] Emerging strategies for exploiting cannabinoid receptor agonists as medicines. Br J Pharmacol. 2009 Feb;156(3):397-411.
• [13] Tetrahydrolipstatin analogues as modulators of endocannabinoid 2-arachidonoylglycerol metabolism. J Med Chem. 2008 Nov 13;51(21):6970-9.
• [14] Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
• [15] Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
• [16] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [17] Surinabant, a selective cannabinoid receptor type 1 antagonist, inhibits 9-tetrahydrocannabinol-induced central nervous system and heart rate effects in humans.Br J Clin Pharmacol.2013 Jul;76(1):65-77.
• [18] Clinical pipeline report, company report or official report of Bird Rock Bio.
• [19] Clinical pipeline report, company report or official report of Affimed Therapeutics.
• [20] Inhibitory effects of antihypertensive drugs on human cytochrome P450 2J2 activity: Potent inhibition by azelnidipine and manidipine. Chem Biol Interact. 2019 Jun 1;306:1-9.
• [21] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [22] In vitro inhibition of human small intestinal and liver microsomal astemizole O-demethylation: different contribution of CYP2J2 in the small intestine and liver. Xenobiotica. 2003 Jun;33(6):615-23.
• [23] Differentiation-specific factors modulate epidermal CYP1-4 gene expression in human skin in response to retinoic acid and classic aryl hydrocarbon receptor ligands. J Pharmacol Exp Ther. 2006 Dec;319(3):1162-71.
• [24] Cytochrome P450 expression, induction and activity in human induced pluripotent stem cell-derived intestinal organoids and comparison with primary human intestinal epithelial cells and Caco-2 cells. Arch Toxicol. 2021 Mar;95(3):907-922. doi: 10.1007/s00204-020-02953-6. Epub 2020 Dec 2.
• [25] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [26] Stem cell transcriptome responses and corresponding biomarkers that indicate the transition from adaptive responses to cytotoxicity. Chem Res Toxicol. 2017 Apr 17;30(4):905-922.
• [27] Expression of cytochrome P450 epoxygenases and soluble epoxide hydrolase is regulated by hypolipidemic drugs in dose-dependent manner. Toxicol Appl Pharmacol. 2018 Sep 15;355:156-163.