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

General Information of Drug (ID: DMKZDYP)

• Drug Name: 3-Benzyl-5-isopropyl-8-methylchromen-2-one Drug Info
• Synonyms: CHEMBL470224; 3-Benzyl-5-isopropyl-8-methylchromen-2-one

Indication

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

• Cross-matching ID:
  PubChem CID: 16066912
  TTD Drug ID: DMKZDYP

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	[2]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[3]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[4]
KHK-6188	DMF6CTI	Neuropathic pain	8E43.0	Phase 2	[5]
LY-2828360	DMO8IEZ	Pain	MG30-MG3Z	Phase 2	[5]
APD371	DM3XT5V	Crohn disease	DD70	Phase 2	[6]
S-777469	DMZGNOJ	Atopic dermatitis	EA80	Phase 2	[7]
842166X	DMOV0AP	Pain	MG30-MG3Z	Phase 2	[8]
Beta-caryophyllene	DM7583A	Pain	MG30-MG3Z	Phase 2	[9]
Vicasinabin	DMF16CU	Diabetic retinopathy	9B71.0	Phase 2	[10]

Drug(s) Targeting Cannabinoid receptor 1 (CB1)

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

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]

References

• [1] Synthesis and pharmacological evaluation of coumarin derivatives as cannabinoid receptor antagonists and inverse agonists. Bioorg Med Chem. 2009 Apr 1;17(7):2842-51.
• [2] 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.
• [3] 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.
• [4] Company report (Gwpharm)
• [5] Recent Development of CB2 Selective and Peripheral CB1/CB2 Cannabinoid Receptor Ligands. Current Medicinal Chemistry . 10/2013; 21(2).
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] Emerging drugs for atopic dermatitis. Expert Opin Emerg Drugs. 2009 Mar;14(1):165-79.
• [8] 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.
• [9] 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.
• [10] Clinical pipeline report, company report or official report of Roche
• [11] Emerging strategies for exploiting cannabinoid receptor agonists as medicines. Br J Pharmacol. 2009 Feb;156(3):397-411.
• [12] Tetrahydrolipstatin analogues as modulators of endocannabinoid 2-arachidonoylglycerol metabolism. J Med Chem. 2008 Nov 13;51(21):6970-9.
• [13] Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
• [14] Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
• [15] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [16] 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.
• [17] Clinical pipeline report, company report or official report of Bird Rock Bio.
• [18] Clinical pipeline report, company report or official report of Affimed Therapeutics.