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] , [2]
Cancer related pain	MG30	Withdrawn from market	[3] , [4]

• 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	[7]
Mdl 101,146	DMRSOBG	Inflammation	1A00-CA43.1	Terminated	[8]
WIN-63759	DMRV48P	Emphysema	CA21	Terminated	[9]
SSR-69071	DMWL4MI	Chronic obstructive pulmonary disease	CA22	Terminated	[10]
SYN-1134	DMG2SQM	Cystic fibrosis	CA25	Terminated	[11]
PBI-1101	DMWD1RC	Inflammation	1A00-CA43.1	Terminated	[12]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[8]
Grassystatin a	DM1PWX2	Discovery agent	N.A.	Investigative	[13]
Dimethylformamide	DML6O4N	Discovery agent	N.A.	Investigative	[14]

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	[15]
CP-101,606	DMIU19E	Parkinson disease	8A00.0	Phase 2	[16]
CERC-301	DMSABRI	Major depressive disorder	6A70.3	Phase 2	[17]
RGH-896	DMCHZAN	Peripheral neuropathy	8C0Z	Phase 2	[18]
MIJ821	DMN45RI	Major depressive disorder	6A70.3	Phase 2	[19]
NBQX	DMPHZI5	Neurological disorder	6B60	Phase 1	[20]
Neu-2000	DMNJTLC	Cardiac arrest	MC82	Phase 1	[21]
EVT100	DMAKWQD	Major depressive disorder	6A70.3	Phase 1	[22]
YM-90K	DMWRT4L	Convulsion	8A68.Z	Discontinued in Phase 2	[23]
EVT-101	DMOYMGV	Neuropathic pain	8E43.0	Discontinued in Phase 2	[24]

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	[5]
Pancreatic elastase 1 (CELA1)	TT3NKIB	CELA1_HUMAN	Inhibitor	[6]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003666)
• [3] 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).
• [4] Effects of the novel 5-hydroxytryptamine reuptake inhibitor indalpine and ethanol on psychomotor performance. Arzneimittelforschung. 1988 Jan;38(1):98-102.
• [5] NMDA receptor stimulation induces reversible fission of the neuronal endoplasmic reticulum. PLoS One. 2009;4(4):e5250.
• [6] Elastase inhibitors. J Soc Biol. 2001;195(2):143-50.
• [7] Sivelestat (selective neutrophil elastase inhibitor) improves the mortality rate of sepsis associated with both acute respiratory distress syndrome... Shock. 2010 Jan;33(1):14-8.
• [8] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [9] 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.
• [10] Pivotal role for alpha1-antichymotrypsin in skin repair. J Biol Chem. 2011 Aug 19;286(33):28889-901.
• [11] EP patent application no. 1292314, Method for treating respiratory disorders associated with pulmonary elastic fiber injury comprising the use of glycosaminoglycans.
• [12] CN patent application no. 1813706, Use of elastic protease inhibitor for preparing medicine for protecting cerebral hemorrhage.
• [13] Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation. J Med Chem. 2009 Sep 24;52(18):5732-47.
• [14] Liver disease associated with occupational exposure to the solvent dimethylformamide. Ann Intern Med. 1988 May;108(5):680-6.
• [15] 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.
• [16] NMDA receptors as targets for drug action in neuropathic pain. Eur J Pharmacol. 2001 Oct 19;429(1-3):71-8.
• [17] 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.
• [18] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
• [19] Clinical pipeline report, company report or official report of Cadent Therapeutics.
• [20] 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.
• [21] Neu2000, an NR2B-selective, moderate NMDA receptor antagonist and potent spin trapping molecule for stroke. Drug News Perspect. 2010 Nov;23(9):549-56.
• [22] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [23] 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.
• [24] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.