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

General Information of Drug (ID: DMLWZRT)

• Drug Name: CID16020046 Drug Info
• Synonyms: CID 16020046

Indication

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

• Cross-matching ID:
  PubChem CID: 16020046
  ChEBI ID: CHEMBL1341792
  CAS Number: CAS 834903-43-4
  TTD Drug ID: DMLWZRT

Molecule-Related Drug Atlas

Drug(s) Targeting G-protein coupled receptor 55 (GPR55)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Guanfacine extended release	DMB1CZ8	Attention deficit hyperactivity disorder	6A05.Z	Approved	[4]
BIO-017	DMYHK3Y	Angelman syndrome	LD90.0	Phase 1	[5]
N-oleoylethanolamide	DMJQ4L7	Discovery agent	N.A.	Investigative	[4]
[3H]CP55940	DMU7FC5	Discovery agent	N.A.	Investigative	[4]
lysophosphatidylinositol	DMETM3R	Discovery agent	N.A.	Investigative	[6]
O-1602	DM9VISB	Discovery agent	N.A.	Investigative	[7]
abnormal cannabidiol	DMV6DAO	Discovery agent	N.A.	Investigative	[4]
O-arachidonoyl ethanolamine	DML0P72	Discovery agent	N.A.	Investigative	[4]
CID1172084	DMK6YOP	Discovery agent	N.A.	Investigative	[8]
2-arachidonyl glyceryl ether	DM2H8TV	Discovery agent	N.A.	Investigative	[4]

Drug(s) Affected By Broad substrate specificity ATP-binding cassette transporter ABCG2 (ABCG2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[9]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[9]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[10]
Sunitinib	DMCBJSR	Acute undifferentiated leukemia		Approved	[11]
Rosuvastatin	DMMIQ7G	Arteriosclerosis	BD40	Approved	[12]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[13]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[14]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[15]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[16]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
G-protein coupled receptor 55 (GPR55)	TTNET8J	GPR55_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Broad substrate specificity ATP-binding cassette transporter ABCG2 (ABCG2)	OTW8V2V1	ABCG2_HUMAN	Gene/Protein Processing	[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: 6577).
• [2] A selective antagonist reveals a potential role of G protein-coupled receptor 55 in platelet and endothelial cell function. J Pharmacol Exp Ther. 2013 Jul;346(1):54-66.
• [3] Selective GPR55 antagonism reduces chemoresistance in cancer cells. Pharmacol Res. 2016 Sep;111:757-766. doi: 10.1016/j.phrs.2016.07.013. Epub 2016 Jul 14.
• [4] The orphan receptor GPR55 is a novel cannabinoid receptor. Br J Pharmacol. 2007 Dec;152(7):1092-101.
• [5] Clinical pipeline report, company report or official report of Biom Therapeutics
• [6] Screening beta-arrestin recruitment for the identification of natural ligands for orphan G-protein-coupled receptors. J Biomol Screen. 2013 Jun;18(5):599-609.
• [7] International Union of Basic and Clinical Pharmacology. LXXIX. Cannabinoid receptors and their ligands: beyond CB and CB Pharmacol Rev. 2010 Dec;62(4):588-631.
• [8] Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands. Biochemistry. 2011 Jun 28;50(25):5633-47.
• [9] Localization of breast cancer resistance protein (Bcrp) in endocrine organs and inhibition of its transport activity by steroid hormones. Cell Tissue Res. 2012 Aug;349(2):551-63. doi: 10.1007/s00441-012-1417-5. Epub 2012 May 13.
• [10] Pharmacogenetics of ABCG2 and adverse reactions to gefitinib. J Natl Cancer Inst. 2006 Dec 6;98(23):1739-42.
• [11] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [12] ABCG2 polymorphism is associated with the low-density lipoprotein cholesterol response to rosuvastatin. Clin Pharmacol Ther. 2010 May;87(5):558-62.
• [13] Ciprofloxacin mediates cancer stem cell phenotypes in lung cancer cells through caveolin-1-dependent mechanism. Chem Biol Interact. 2016 Apr 25;250:1-11.
• [14] Proteomic identification of differentially expressed proteins associated with the multiple drug resistance in methotrexate-resistant human breast cancer cells. Int J Oncol. 2014 Jul;45(1):448-58.
• [15] Activation of beta-catenin signalling by GSK-3 inhibition increases p-glycoprotein expression in brain endothelial cells. J Neurochem. 2008 Aug;106(4):1855-65. doi: 10.1111/j.1471-4159.2008.05537.x. Epub 2008 Jul 4.
• [16] 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.
• [17] Chronic imatinib mesylate exposure leads to reduced intracellular drug accumulation by induction of the ABCG2 (BCRP) and ABCB1 (MDR1) drug transport pumps. Cancer Biol Ther. 2005 Jul;4(7):747-52.