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

General Information of Drug (ID: DMG58FX)

• Drug Name: WAY-100635 Drug Info
• Synonyms: N-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide; 162760-96-5; Way 100635; UNII-71IH826FEG; CHEMBL31354; 71IH826FEG; N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide; WAY100635; Rec 0/0277; [3H]WAY100635; WAY 100,635; WAY-100,635; Lopac-W-108; AC1L1KWK; GTPL80; AC1Q5IB0; SCHEMBL84178; Lopac0_001229; WAY-100635 maleate salt/; GTPL3251; BDBM86708; DTXSID20167467; CHEBI:125619; EX-A1053; ZINC52541473; 2799AH; PDSP2_001699; PDSP1_001716; ABP000343; AKOS027313833; SB19513; NSC_104911; CS-0418; CCG-205303

Indication

Disease Entry	ICD 11	Status	REF
Eating disorder	6B82	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 5684
  ChEBI ID: CHEBI:125619
  CAS Number: CAS 162760-96-5
  TTD Drug ID: DMG58FX

Molecule-Related Drug Atlas

Drug(s) Targeting 5-HT 1A receptor (HTR1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Trazodone	DMK1GBJ	Depression	6A70-6A7Z	Approved	[4]
Buspirone	DMBS632	Anxiety disorder	6B00-6B0Z	Approved	[5]
OPC-34712	DMHG57U	Major depressive disorder	6A70.3	Approved	[6]
Vilazodone	DM4LECQ	Major depressive disorder	6A70.3	Approved	[7]
Flibanserin	DM70DTN	Depression	6A70-6A7Z	Approved	[8]
Gepirone	DMGX5Q0	Major depressive disorder	6A70.3	Approved	[9]
TERTATOLOL	DM2L3D5	Hypertension	BA00-BA04	Approved	[10]
Urapidil	DMD59GI	Hypertension	BA00-BA04	Approved	[11]
Treximet	DMU54QB	Migraine	8A80	Approved	[12]
CM-2395	DMASPWR	Schizophrenia	6A20	Phase 3	[13]

Drug(s) Affected By 5-hydroxytryptamine receptor 1A (HTR1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Trazodone	DMK1GBJ	Depression	6A70-6A7Z	Approved	[14]
Nefazodone	DM4ZS8M	Major depressive disorder	6A70.3	Approved	[14]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[15]
Methamphetamine	DMPM4SK	Anxiety		Approved	[16]
Olanzapine	DMPFN6Y	Bipolar depression		Approved	[17]
Perospirone	DMVHJLX	Psychotic disorder	6A20-6A25	Approved	[17]
Etoperidone	DMR7U8F	N. A.	N. A.	Phase 4	[14]
phorbol 12-myristate 13-acetate	DMJWD62	Acute myeloid leukaemia	2A60	Phase 2	[18]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[19]
DU 125530	DM63UA9	Mood disorder	6A60-6E23	Discontinued in Phase 2	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
5-hydroxytryptamine receptor 1A (HTR1A)	OT38K9MK	5HT1A_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: 80).
• [2] Pharmacological characterization of recombinant human 5-hydroxytryptamine1A receptors using a novel antagonist radioligand, [3H]WAY-100635. Life Sci. 1997;60(9):653-65.
• [3] Design, synthesis, radiolabeling, and in vitro and in vivo evaluation of bridgehead iodinated analogues of N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) as potential SPECT ligands for the 5-HT1A receptor. J Med Chem. 2011 May 26;54(10):3480-91. doi: 10.1021/jm1009956. Epub 2011 Apr 26.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] Interactions between corticotropin-releasing hormone and serotonin: implications for the aetiology and treatment of anxiety disorders. Handb Exp Pharmacol. 2005;(169):181-204.
• [6] Effects of brexpiprazole, a novel serotonin-dopamine activity modulator, on phencyclidine-induced cognitive deficits in mice: a role for serotonin 5-HT1A receptors.Pharmacol Biochem Behav.2014 Sep;124:245-9.
• [7] 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.
• [8] Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
• [9] Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
• [10] Synthesis of new derivatives of 8-OH-DPAT: Influence of substitution on the aromatic ring on the pharmacological profile, Bioorg. Med. Chem. Lett. 3(10):2035-2038 (1993).
• [11] Urapidil. A reappraisal of its use in the management of hypertension. Drugs. 1998 Nov;56(5):929-55.
• [12] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [13] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031127)
• [14] Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65. doi: 10.1007/BF02244985.
• [15] Response to fluoxetine and serotonin 1A receptor (C-1019G) polymorphism in Taiwan Chinese major depressive disorder. Pharmacogenomics J. 2006 Jan-Feb;6(1):27-33. doi: 10.1038/sj.tpj.6500340.
• [16] Serotonin 1A receptor gene is associated with Japanese methamphetamine-induced psychosis patients. Neuropharmacology. 2010 Feb;58(2):452-6. doi: 10.1016/j.neuropharm.2009.09.006. Epub 2009 Sep 10.
• [17] Serotonin-1A receptor gene polymorphism and the ability of antipsychotic drugs to improve attention in schizophrenia. Adv Ther. 2010 May;27(5):307-13. doi: 10.1007/s12325-010-0035-4. Epub 2010 Jun 8.
• [18] Mechanisms of regulation of agonist efficacy at the 5-HT(1A) receptor by phospholipid-derived signaling components. J Pharmacol Exp Ther. 2001 Jun;297(3):1025-35.
• [19] Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
• [20] 5-Hydroxytryptamine1A receptor occupancy by novel full antagonist 2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzdioxyn-5-yl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3-(2H)-one-1,1-dioxide: a[11C][O-methyl-3H]-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridinyl)cyclohexanecarboxamide trihydrochloride (WAY-100635) positron emission tomography study in humans. J Pharmacol Exp Ther. 2002 Jun;301(3):1144-50.