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

General Information of Drug (ID: DMXPQU6)

• Drug Name: (2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) Drug Info
• Synonyms: CHEMBL1083646; (2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX); SCHEMBL1404538; BDBM50320177

Indication

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

• Cross-matching ID:
  PubChem CID: 25059294
  TTD Drug ID: DMXPQU6

Molecule-Related Drug Atlas

Drug(s) Targeting Voltage-gated potassium channel Kv11.1 (KCNH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VESNARINONE	DMBKX3C	Cardiac failure	BD10-BD13	Approved	[2]
M100907	DM7ZFBA	Sleep-wake disorder	7A00-7B2Z	Phase 3	[3]
HP-184	DMNOMV2	Multiple sclerosis	8A40	Phase 2	[4]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[5]
ABT-229	DMN3S1B	Pain	MG30-MG3Z	Phase 2	[6]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[7]
Pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine derivative 1	DMC8935	N. A.	N. A.	Patented	[8]
Isoindoline derivative 5	DMIUTQW	N. A.	N. A.	Patented	[9]
Isoindoline derivative 3	DM2MYL9	N. A.	N. A.	Patented	[9]
Isoindoline derivative 4	DMP1NKI	N. A.	N. A.	Patented	[9]

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	[10]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[11]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[12]
KHK-6188	DMF6CTI	Neuropathic pain	8E43.0	Phase 2	[13]
LY-2828360	DMO8IEZ	Pain	MG30-MG3Z	Phase 2	[13]
APD371	DM3XT5V	Crohn disease	DD70	Phase 2	[14]
S-777469	DMZGNOJ	Atopic dermatitis	EA80	Phase 2	[15]
842166X	DMOV0AP	Pain	MG30-MG3Z	Phase 2	[16]
Beta-caryophyllene	DM7583A	Pain	MG30-MG3Z	Phase 2	[17]
Vicasinabin	DMF16CU	Diabetic retinopathy	9B71.0	Phase 2	[18]

Drug(s) Targeting Cannabinoid receptor 1 (CB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[19]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[11]
Orlistat	DMRJSP8	Obesity	5B81	Approved	[20]
SR141716A	DMCO5JZ	Obesity	5B81	Approved	[21]
Tebipenem	DMVSX6O	Urinary tract infection	GC08	Phase 3	[22]
Conatumumab	DM2UOSN	Colorectal cancer	2B91.Z	Phase 2	[23]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[12]
SR-147778	DMNAECP	Obesity	5B81	Phase 2	[24]
Nimacimab	DM21Z68	Diabetic nephropathy	GB61.Z	Phase 2	[25]
AEF0117	DMQ1GH4	Marijuana use disorder	6C41	Phase 2	[26]

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]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

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• [2] Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.
• [3] Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists ... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3708-12.
• [4] Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.
• [5] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [6] 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety. Bioorg Med Chem. 2010 Nov 1;18(21):7651-8.
• [7] Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
• [8] Towards selective phosphodiesterase 2A (PDE2A) inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2016 Aug;26(8):933-46.
• [9] The sigma-2 (-2) receptor: a review of recent patent applications: 2013-2018.Expert Opin Ther Pat. 2018 Sep;28(9):655-663.
• [10] 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.
• [11] 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.
• [12] Company report (Gwpharm)
• [13] Recent Development of CB2 Selective and Peripheral CB1/CB2 Cannabinoid Receptor Ligands. Current Medicinal Chemistry . 10/2013; 21(2).
• [14] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [15] Emerging drugs for atopic dermatitis. Expert Opin Emerg Drugs. 2009 Mar;14(1):165-79.
• [16] 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.
• [17] 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.
• [18] Clinical pipeline report, company report or official report of Roche
• [19] Emerging strategies for exploiting cannabinoid receptor agonists as medicines. Br J Pharmacol. 2009 Feb;156(3):397-411.
• [20] Tetrahydrolipstatin analogues as modulators of endocannabinoid 2-arachidonoylglycerol metabolism. J Med Chem. 2008 Nov 13;51(21):6970-9.
• [21] Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
• [22] Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
• [23] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [24] 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.
• [25] Clinical pipeline report, company report or official report of Bird Rock Bio.
• [26] Clinical pipeline report, company report or official report of Affimed Therapeutics.