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

General Information of Drug (ID: DM7R605)

• Drug Name: AM-630 Drug Info
• Synonyms: 164178-33-0; AM630; AM-630; iodopravadoline; (6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone; AM 630; UNII-U1LNJ6NBKA; U1LNJ6NBKA; CHEMBL181633; [6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone; 6-iodopravadoline; 1-(2-(Morpholin-4-yl)ethyl)-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole; 1-[2-(morpholin-4-yl)ethyl]-2-methyl-3-(4-methoxybenzoyl)-6-iodoindole; Tocris-1120; AC1N7ICI; Iodopravadoline(AM-630); Iodopravadoline (AM630); GTPL750; MLS006010265

Indication

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

• Cross-matching ID:
  PubChem CID: 4302963
  ChEBI ID: CHEBI:93112
  CAS Number: CAS 164178-33-0
  TTD Drug ID: DM7R605

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	[4]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[5]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[6]
KHK-6188	DMF6CTI	Neuropathic pain	8E43.0	Phase 2	[7]
LY-2828360	DMO8IEZ	Pain	MG30-MG3Z	Phase 2	[7]
APD371	DM3XT5V	Crohn disease	DD70	Phase 2	[8]
S-777469	DMZGNOJ	Atopic dermatitis	EA80	Phase 2	[9]
842166X	DMOV0AP	Pain	MG30-MG3Z	Phase 2	[10]
Beta-caryophyllene	DM7583A	Pain	MG30-MG3Z	Phase 2	[11]
Vicasinabin	DMF16CU	Diabetic retinopathy	9B71.0	Phase 2	[12]

Drug(s) Targeting Cannabinoid receptor 1 (CB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[13]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[5]
Orlistat	DMRJSP8	Obesity	5B81	Approved	[14]
SR141716A	DMCO5JZ	Obesity	5B81	Approved	[15]
Tebipenem	DMVSX6O	Urinary tract infection	GC08	Phase 3	[16]
Conatumumab	DM2UOSN	Colorectal cancer	2B91.Z	Phase 2	[17]
GW-42004	DMY3KSU	Lipid metabolism disorder	5C52.Z	Phase 2	[6]
SR-147778	DMNAECP	Obesity	5B81	Phase 2	[18]
Nimacimab	DM21Z68	Diabetic nephropathy	GB61.Z	Phase 2	[19]
AEF0117	DMQ1GH4	Marijuana use disorder	6C41	Phase 2	[20]

Drug(s) Affected By Thiamine transporter 1 (SLC19A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[21]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[22]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[23]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[24]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[25]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[26]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[27]
Melphalan	DMOLNHF	Hematologic disease	3C0Z	Approved	[28]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[29]
Indomethacin	DMSC4A7	Bursitis		Approved	[30]

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	[2]
Cannabinoid receptor 2 (CB2)	TTMSFAW	CNR2_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Thiamine transporter 1 (SLC19A2)	OTH5SB0M	S19A2_HUMAN	Gene/Protein Processing	[3]

References

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• [2] New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists. Bioorg Med Chem Lett. 2007 Dec 1;17(23):6505-10.
• [3] Effect of cannabinoids upon the uptake of folic acid by BeWo cells. Pharmacology. 2009;83(3):170-6. doi: 10.1159/000192587. Epub 2009 Jan 15.
• [4] 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.
• [5] 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.
• [6] Company report (Gwpharm)
• [7] Recent Development of CB2 Selective and Peripheral CB1/CB2 Cannabinoid Receptor Ligands. Current Medicinal Chemistry . 10/2013; 21(2).
• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Emerging drugs for atopic dermatitis. Expert Opin Emerg Drugs. 2009 Mar;14(1):165-79.
• [10] 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.
• [11] 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.
• [12] Clinical pipeline report, company report or official report of Roche
• [13] Emerging strategies for exploiting cannabinoid receptor agonists as medicines. Br J Pharmacol. 2009 Feb;156(3):397-411.
• [14] Tetrahydrolipstatin analogues as modulators of endocannabinoid 2-arachidonoylglycerol metabolism. J Med Chem. 2008 Nov 13;51(21):6970-9.
• [15] Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
• [16] Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
• [17] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [18] 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.
• [19] Clinical pipeline report, company report or official report of Bird Rock Bio.
• [20] Clinical pipeline report, company report or official report of Affimed Therapeutics.
• [21] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [22] Differential gene expression in human hepatocyte cell lines exposed to the antiretroviral agent zidovudine. Arch Toxicol. 2014 Mar;88(3):609-23. doi: 10.1007/s00204-013-1169-3. Epub 2013 Nov 30.
• [23] THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
• [24] Endoplasmic reticulum stress and MAPK signaling pathway activation underlie leflunomide-induced toxicity in HepG2 Cells. Toxicology. 2017 Dec 1;392:11-21.
• [25] Integrative "-Omics" analysis in primary human hepatocytes unravels persistent mechanisms of cyclosporine A-induced cholestasis. Chem Res Toxicol. 2016 Dec 19;29(12):2164-2174.
• [26] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [27] Identification of mechanisms of action of bisphenol a-induced human preadipocyte differentiation by transcriptional profiling. Obesity (Silver Spring). 2014 Nov;22(11):2333-43.
• [28] Bone marrow osteoblast damage by chemotherapeutic agents. PLoS One. 2012;7(2):e30758. doi: 10.1371/journal.pone.0030758. Epub 2012 Feb 17.
• [29] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [30] Mechanisms of indomethacin-induced alterations in the choline phospholipid metabolism of breast cancer cells. Neoplasia. 2006 Sep;8(9):758-71.