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

General Information of Drug (ID: DMBRVXY)

• Drug Name: SR144528 Drug Info
• Synonyms: SR 144528; SR144528; 192703-06-3; SR-144528; CHEMBL381791; 5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide (1S-endo)-; SR144,528; (1S-endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide; 5-(4-chloro-3-methylphenyl)-1-(4-methylbenzyl)-N-((1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide; 1H-Pyrazole-3-carboxamide, 5-(4-chloro-3-methylphe

Indication

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

• Cross-matching ID:
  PubChem CID: 3081355
  ChEBI ID: CHEBI:146245
  CAS Number: CAS 192703-06-3
  TTD Drug ID: DMBRVXY

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) Affected By Cannabinoid receptor 2 (CNR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Guanfacine extended release	DMB1CZ8	Attention deficit hyperactivity disorder	6A05.Z	Approved	[13]
NABILONE	DMVRYT2	Insomnia	7A00-7A0Z	Approved	[14]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[15]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[16]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[17]
Menthol	DMG2KW7	Back pain	ME84.Z	Approved	[18]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[19]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[20]
Gemcitabine	DMSE3I7	Anterior urethra cancer		Approved	[21]
Amphotericin B	DMTAJQE	Acne vulgaris	ED80	Approved	[22]

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	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cannabinoid receptor 2 (CNR2)	OTYP9P43	CNR2_HUMAN	Protein Interaction/Cellular Processes	[3]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 751).
• [2] Antinociceptive activity of the endogenous fatty acid amide, palmitylethanolamide. Eur J Pharmacol. 2001 May 11;419(2-3):191-8.
• [3] Cloning and pharmacological characterization of the rat CB(2) cannabinoid receptor. J Pharmacol Exp Ther. 2000 Mar;292(3):886-94.
• [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] Evidence that 2-arachidonoylglycerol but not N-palmitoylethanolamine or anandamide is the physiological ligand for the cannabinoid CB2 receptor. Comparison of the agonistic activities of various cannabinoid receptor ligands in HL-60 cells. J Biol Chem. 2000 Jan 7;275(1):605-12. doi: 10.1074/jbc.275.1.605.
• [14] Cloning and pharmacological characterization of the dog cannabinoid CB?receptor. Eur J Pharmacol. 2011 Nov 1;669(1-3):24-31. doi: 10.1016/j.ejphar.2011.08.002. Epub 2011 Aug 19.
• [15] hiPSC-Based Model of Prenatal Exposure to Cannabinoids: Effect on Neuronal Differentiation. Front Mol Neurosci. 2020 Jul 6;13:119. doi: 10.3389/fnmol.2020.00119. eCollection 2020.
• [16] Comparison of protective effect of ascorbic acid on redox and endocannabinoid systems interactions in in vitro cultured human skin fibroblasts exposed to UV radiation and hydrogen peroxide. Arch Dermatol Res. 2017 May;309(4):285-303. doi: 10.1007/s00403-017-1729-0. Epub 2017 Mar 11.
• [17] Delta9-tetrahydrocannabinol inhibits cell cycle progression in human breast cancer cells through Cdc2 regulation. Cancer Res. 2006 Jul 1;66(13):6615-21. doi: 10.1158/0008-5472.CAN-05-4566.
• [18] 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.
• [19] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [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] Gemcitabine/cannabinoid combination triggers autophagy in pancreatic cancer cells through a ROS-mediated mechanism. Cell Death Dis. 2011 Apr 28;2(4):e152. doi: 10.1038/cddis.2011.36.
• [22] Differential expression of microRNAs and their predicted targets in renal cells exposed to amphotericin B and its complex with copper (II) ions. Toxicol Mech Methods. 2017 Sep;27(7):537-543. doi: 10.1080/15376516.2017.1333554. Epub 2017 Jun 8.