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

General Information of Drug (ID: DM14RF5)

• Drug Name: Secobarbital Drug Info
• Synonyms: Barbosec; Evronal; Hypotrol; Hyptran; Meballymal; Meballymalum; Pramil; Quinalbarbital; Quinalbarbitone; Secobarbitale; Secobarbitalum; Secobarbitone; Seconal; Seotal; Somosal; Secobarbital solution; Secobarbital suppository dosage form; Secobarbitale [DCIT]; Secobarbital [USAN:INN]; Secobarbitalum [INN-Latin]; Seconal (TN);Secobarbital (USP/INN); (+-)-5-Allyl-5-(1-methylbutyl)-barbituric acid; (+-)-Secobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-(9CI); 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione; 5-ALLYL-5-(1-METHYLBUTYL)BARBITURIC ACID; 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Allyl-5-(1-methylbutyl)barbiturate; 5-Allyl-5-(1-methylbutyl)malonylurea; 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione; 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Approved	[1]
Insomnia	7A00-7A0Z	Approved	[1]
Intractable insomnia	7A00	Approved	[2]

• Therapeutic Class: Hypnotics and Sedatives
• Cross-matching ID:
  PubChem CID: 5193
  ChEBI ID: CHEBI:9073
  CAS Number: CAS 76-73-3
  TTD Drug ID: DM14RF5
  ACDINA Drug ID: D00617

Molecule-Related Drug Atlas

Drug(s) Targeting GABA(A) receptor alpha-1 (GABRA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[3]
Zolpidem	DMWOSKJ	Insomnia	7A00-7A0Z	Approved	[6]
Methoxyflurane	DML0RAE	Anaesthesia	9A78.6	Approved	[3]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[3]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[7]
Clobazam - Lundbeck	DMW1OQ0	Anxiety disorder	6B00-6B0Z	Approved	[3]
Hexobarbital	DMQ314B	Anaesthesia	9A78.6	Approved	[3]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[8]
Meprobamate	DMHM93Y	Anxiety		Approved	[3]
Zaleplon	DMGFWSM	Insomnia	7A00-7A0Z	Approved	[9]

Drug(s) Affected By Nuclear receptor subfamily 1 group I member 2 (NR1I2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[10]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[10]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[11]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[12]
Etidronic acid	DM1XHYJ	Bone Paget disease		Approved	[10]
Tiaprofenic acid	DM23D7J	Osteoarthritis	FA00-FA05	Approved	[10]
Bromperidol	DM24XYQ	Schizophrenia	6A20	Approved	[10]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[13]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[14]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[15]

Drug(s) Affected By Mitogen-activated protein kinase 3 (MAPK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[16]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[17]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[18]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[19]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[20]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[21]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[22]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[23]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[24]
Imiquimod	DM1TMA3	Alopecia areata	ED70.2	Approved	[25]

Drug(s) Affected By Mitogen-activated protein kinase 1 (MAPK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[26]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[17]
Carvedilol	DMHTEAO	Chronic heart failure	BD1Z	Approved	[27]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[28]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[29]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[16]
Urokinase	DM0GOUD	Myocardial infarction	BA41-BA43	Approved	[30]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[31]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[19]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Antagonist	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Mitogen-activated protein kinase 1 (MAPK1)	OTH85PI5	MK01_HUMAN	Post-Translational Modifications	[4]
Mitogen-activated protein kinase 3 (MAPK3)	OTCYKGKO	MK03_HUMAN	Post-Translational Modifications	[4]
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[5]

References

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• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
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• [13] Identification of HMG-CoA reductase inhibitors as activators for human, mouse and rat constitutive androstane receptor. Drug Metab Dispos. 2005 Jul;33(7):924-9.
• [14] Acetylated deoxycholic (DCA) and cholic (CA) acids are potent ligands of pregnane X (PXR) receptor. Toxicol Lett. 2017 Jan 4;265:86-96.
• [15] Stable cellular models of nuclear receptor PXR for high-throughput evaluation of small molecules. Toxicol In Vitro. 2018 Oct;52:222-234.
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• [17] Progesterone increases csk homologous kinase in HMC-1560 human mast cells and reduces cell proliferation. J Cell Biochem. 2007 Dec 1;102(5):1271-80. doi: 10.1002/jcb.21357.
• [18] Cannabidiol upregulates melanogenesis through CB1 dependent pathway by activating p38 MAPK and p42/44 MAPK. Chem Biol Interact. 2017 Aug 1;273:107-114. doi: 10.1016/j.cbi.2017.06.005. Epub 2017 Jun 7.
• [19] Sertraline, an antidepressant, induces apoptosis in hepatic cells through the mitogen-activated protein kinase pathway. Toxicol Sci. 2014 Feb;137(2):404-15. doi: 10.1093/toxsci/kft254. Epub 2013 Nov 5.
• [20] Growth stimulation of human pulmonary adenocarcinoma cells and small airway epithelial cells by beta-carotene via activation of cAMP, PKA, CREB and ERK1/2. Int J Cancer. 2006 Mar 15;118(6):1370-80. doi: 10.1002/ijc.21537.
• [21] Estrogen and pure antiestrogen fulvestrant (ICI 182 780) augment cell-matrigel adhesion of MCF-7 breast cancer cells through a novel G protein coupled estrogen receptor (GPR30)-to-calpain signaling axis. Toxicol Appl Pharmacol. 2014 Mar 1;275(2):176-81. doi: 10.1016/j.taap.2014.01.005. Epub 2014 Jan 17.
• [22] Growth of hormone-dependent MCF-7 breast cancer cells is promoted by constitutive caveolin-1 whose expression is lost in an EGF-R-mediated manner during development of tamoxifen resistance. Breast Cancer Res Treat. 2010 Feb;119(3):575-91. doi: 10.1007/s10549-009-0355-8. Epub 2009 Mar 15.
• [23] Effect of histamine H1 receptor antagonists on TARC/CCL17 and MDC/CCL22 production from CD14+ cells induced by antigenic stimulation in vitro. Int Arch Allergy Immunol. 2011;155(1):38-51. doi: 10.1159/000318720. Epub 2010 Nov 25.
• [24] SIRT3 Mediates the Antioxidant Effect of Hydrogen Sulfide in Endothelial Cells. Antioxid Redox Signal. 2016 Feb 20;24(6):329-43. doi: 10.1089/ars.2015.6331. Epub 2015 Nov 10.
• [25] Imiquimod induces apoptosis of human melanocytes. Arch Dermatol Res. 2010 May;302(4):301-6. doi: 10.1007/s00403-009-1012-0. Epub 2009 Dec 23.
• [26] Downregulation of mitogen-activated protein kinases (MAPKs) in chronic ethanol-induced fatty liver. Toxicol Mech Methods. 2020 Jul;30(6):407-416. doi: 10.1080/15376516.2020.1747126. Epub 2020 Apr 1.
• [27] A unique mechanism of beta-blocker action: carvedilol stimulates beta-arrestin signaling. Proc Natl Acad Sci U S A. 2007 Oct 16;104(42):16657-62. doi: 10.1073/pnas.0707936104. Epub 2007 Oct 9.
• [28] The stent-eluting drugs sirolimus and paclitaxel suppress healing of the endothelium by induction of autophagy. Am J Pathol. 2009 Nov;175(5):2226-34.
• [29] Modulation of apoptosis in HaCaT keratinocytes via differential regulation of ERK signaling pathway by flavonoids. J Biol Chem. 2005 Sep 9;280(36):31498-507. doi: 10.1074/jbc.M505537200. Epub 2005 Jul 13.
• [30] 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.
• [31] Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.