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

General Information of Drug (ID: DMXC1K9)

• Drug Name: Alpha 1-PI Drug Info
• Synonyms: Ifenprodil; 23210-56-2; Vadilex; ifenprodil tartrate; Dilvax; Creocral; 4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol; Ifenprodil [INN:DCF]; RC 61-91; Ifenprodilum [INN-Latin]; UNII-R8OE3P6O5S; EINECS 245-491-4; R8OE3P6O5S; CHEMBL305187; 4-Benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol; 2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propanol; 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; NCGC00024643-03; IFENPRODIL HEMITARTRATE; alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine

Indication

Disease Entry	ICD 11	Status	REF
Alpha-1 antitrypsin deficiency	5C5A	Approved	[1]
Cancer related pain	MG30	Withdrawn from market	[2]

• Cross-matching ID:
  PubChem CID: 3689
  ChEBI ID: CHEBI:93829
  CAS Number: CAS 23210-56-2
  TTD Drug ID: DMXC1K9

Molecule-Related Drug Atlas

Drug(s) Targeting Pancreatic elastase 1 (CELA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Erdosteine	DM6QFSV	Bronchitis	CA20	Approved	[1]
Sivelestat	DM6BZCV	Crohn disease	DD70	Phase 3	[6]
Mdl 101,146	DMRSOBG	Inflammation	1A00-CA43.1	Terminated	[7]
WIN-63759	DMRV48P	Emphysema	CA21	Terminated	[8]
SSR-69071	DMWL4MI	Chronic obstructive pulmonary disease	CA22	Terminated	[9]
SYN-1134	DMG2SQM	Cystic fibrosis	CA25	Terminated	[10]
PBI-1101	DMWD1RC	Inflammation	1A00-CA43.1	Terminated	[11]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[7]
Grassystatin a	DM1PWX2	Discovery agent	N.A.	Investigative	[12]
Dimethylformamide	DML6O4N	Discovery agent	N.A.	Investigative	[13]

Drug(s) Targeting Glutamate receptor ionotropic NMDA 2B (NMDAR2B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ELIPRODIL	DMIOGZM	Multiple sclerosis	8A40	Phase 2	[14]
CP-101,606	DMIU19E	Parkinson disease	8A00.0	Phase 2	[15]
CERC-301	DMSABRI	Major depressive disorder	6A70.3	Phase 2	[16]
RGH-896	DMCHZAN	Peripheral neuropathy	8C0Z	Phase 2	[17]
MIJ821	DMN45RI	Major depressive disorder	6A70.3	Phase 2	[18]
NBQX	DMPHZI5	Neurological disorder	6B60	Phase 1	[19]
Neu-2000	DMNJTLC	Cardiac arrest	MC82	Phase 1	[20]
EVT100	DMAKWQD	Major depressive disorder	6A70.3	Phase 1	[21]
YM-90K	DMWRT4L	Convulsion	8A68.Z	Discontinued in Phase 2	[22]
EVT-101	DMOYMGV	Neuropathic pain	8E43.0	Discontinued in Phase 2	[23]

Drug(s) Affected By Potassium voltage-gated channel subfamily H member 2 (KCNH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Metoclopramide	DMFA5MY	Nausea	MD90	Approved	[24]
Quinidine	DMLPICK	N. A.	N. A.	Approved	[25]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[26]
Erythromycin	DM4K7GQ	Acne vulgaris	ED80	Approved	[27]
Clarithromycin	DM4M1SG	Acute maxillary sinusitis		Approved	[27]
Disopyramide	DM5SYZP	Long QT syndrome	BC65.0	Approved	[28]
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[29]
Amiodarone	DMUTEX3	Tachyarrhythmias	BC71	Approved	[30]
Dofetilide	DMPN1TW	Sinus rhythm disorder	BC9Y	Approved	[31]
Flecainide	DMSQDLE	Tachyarrhythmias	BC71	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Antagonist	[3]
Pancreatic elastase 1 (CELA1)	TT3NKIB	CELA1_HUMAN	Inhibitor	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[5]

References

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• [2] 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: 5472).
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• [5] sigma(2)-receptor ligand-mediated inhibition of inwardly rectifying K(+) channels in the heart. J Pharmacol Exp Ther. 2007 Jul;322(1):341-50. doi: 10.1124/jpet.107.122044. Epub 2007 Apr 25.
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• [8] Biological activity of WIN 63759, an orally bioavailable inhibitor of human neutrophil elastase. Drug Development Research Volume 34, Issue 3, pages 306-316, March 1995.
• [9] Pivotal role for alpha1-antichymotrypsin in skin repair. J Biol Chem. 2011 Aug 19;286(33):28889-901.
• [10] EP patent application no. 1292314, Method for treating respiratory disorders associated with pulmonary elastic fiber injury comprising the use of glycosaminoglycans.
• [11] CN patent application no. 1813706, Use of elastic protease inhibitor for preparing medicine for protecting cerebral hemorrhage.
• [12] Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation. J Med Chem. 2009 Sep 24;52(18):5732-47.
• [13] Liver disease associated with occupational exposure to the solvent dimethylformamide. Ann Intern Med. 1988 May;108(5):680-6.
• [14] 4-Hydroxy-1-[2-(4-hydroxyphenoxy)ethyl]-4-(4-methylbenzyl)piperidine: a novel, potent, and selective NR1/2B NMDA receptor antagonist. J Med Chem. 1999 Jul 29;42(15):2993-3000.
• [15] NMDA receptors as targets for drug action in neuropathic pain. Eur J Pharmacol. 2001 Oct 19;429(1-3):71-8.
• [16] Inhibition of in vivo [(3)H]MK-801 binding by NMDA receptor open channel blockers and GluN2B antagonists in rats and mice. Eur J Pharmacol. 2015 Nov 5;766:1-8.
• [17] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
• [18] Clinical pipeline report, company report or official report of Cadent Therapeutics.
• [19] Synthesis, ionotropic glutamate receptor binding affinity, and structure-activity relationships of a new set of 4,5-dihydro-8-heteroaryl-4-oxo-1,2,... J Med Chem. 2001 Sep 13;44(19):3157-65.
• [20] Neu2000, an NR2B-selective, moderate NMDA receptor antagonist and potent spin trapping molecule for stroke. Drug News Perspect. 2010 Nov;23(9):549-56.
• [21] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [22] 4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with... Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.
• [23] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [24] Comparison of the effects of metoclopramide and domperidone on HERG channels. Pharmacology. 2005 Apr;74(1):31-6. doi: 10.1159/000083234. Epub 2005 Jan 7.
• [25] Further insights into the effect of quinidine in short QT syndrome caused by a mutation in HERG. J Cardiovasc Electrophysiol. 2005 Jan;16(1):54-8. doi: 10.1046/j.1540-8167.2005.04470.x.
• [26] Automated tight seal electrophysiology for assessing the potential hERG liability of pharmaceutical compounds. Assay Drug Dev Technol. 2004 Oct;2(5):497-506. doi: 10.1089/adt.2004.2.497.
• [27] Refining the human iPSC-cardiomyocyte arrhythmic risk assessment model. Toxicol Sci. 2013 Dec;136(2):581-94. doi: 10.1093/toxsci/kft205. Epub 2013 Sep 19.
• [28] Pharmacology of the short QT syndrome N588K-hERG K+ channel mutation: differential impact on selected class I and class III antiarrhythmic drugs. Br J Pharmacol. 2008 Nov;155(6):957-66. doi: 10.1038/bjp.2008.325. Epub 2008 Aug 25.
• [29] Comparison of HERG channel blocking effects of various beta-blockers-- implication for clinical strategy. Br J Pharmacol. 2006 Mar;147(6):642-52. doi: 10.1038/sj.bjp.0706508.
• [30] Inhibitory effects of the class III antiarrhythmic drug amiodarone on cloned HERG potassium channels. Naunyn Schmiedebergs Arch Pharmacol. 1999 Mar;359(3):212-9. doi: 10.1007/pl00005344.
• [31] Redox state dependency of HERGS631C channel pharmacology: relation to C-type inactivation. FEBS Lett. 2000 May 26;474(1):111-5. doi: 10.1016/s0014-5793(00)01586-6.