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

General Information of Drug (ID: DML5O0H)

• Drug Name: 2-Propanol, Isopropanol Drug Info
• Synonyms: Isopropyl alcohol; isopropanol; 2-Propanol; Propan-2-ol; 67-63-0; 2-Hydroxypropane; Hartosol; Avantine; Alkolave; Dimethylcarbinol; sec-Propyl alcohol; Takineocol; Petrohol; Alcojel; Avantin; i-Propanol; 1-Methylethanol; 2-Propyl alcohol; Propol; Lutosol; Isohol; Alcolo; Lavacol; Alcosolve 2; Imsol A; 1-Methylethyl alcohol; Arquad DMCB; Alcosolve; Spectrar; n-Propan-2-ol; i-Propylalkohol; Combi-schutz; i-Propyl alcohol; Isopropyl alcohol, rubbing; Iso-propylalkohol; Alcool isopropilico; Visco 1152; Alcool isopropylique; Sterisol hand; Isopropyl Alcohol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

• Cross-matching ID:
  PubChem CID: 3776
  ChEBI ID: CHEBI:17824
  CAS Number: CAS 67-63-0
  TTD Drug ID: DML5O0H

Molecule-Related Drug Atlas

Drug(s) Targeting Nitric-oxide synthase endothelial (NOS3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tilarginine acetate	DMZBGI8	Myocardial infarction	BA41-BA43	Phase 3	[3]
L-NAME	DM01SR6	Hypertension	BA00-BA04	Phase 2	[4]
ACCLAIM	DM0FGDO	Angina pectoris	BA40	Phase 2	[5]
VAS-203	DMKU93J	Brain injury	NA07.Z	Phase 2	[6]
MTR105	DMT0K4F	Hypotension	BA20-BA21	Phase 2	[7]
Autologous cell based gene therapy	DMQA1VT	Pulmonary hypertension	BB01	Phase 1	[8]
L-NIL	DM6Y49D	N. A.	N. A.	Terminated	[9]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[1]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Oxysterols receptor LXR-beta (NR1H2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VTB-38543	DMNY3J0	Atopic dermatitis	EA80	Phase 2	[10]
Desmosterol	DMV8SUM	Discovery agent	N.A.	Investigative	[11]
L-783483	DM6OTGE	Discovery agent	N.A.	Investigative	[12]
WAY-214950	DM8ODI7	Discovery agent	N.A.	Investigative	[13]
27-hydroxycholesterol	DM2L6OZ	Discovery agent	N.A.	Investigative	[14]
22R-hydroxycholesterol	DME8273	Discovery agent	N.A.	Investigative	[15]
GSK-9772	DM4WS3R	Discovery agent	N.A.	Investigative	[16]
Riccardin C	DM6MYGX	Discovery agent	N.A.	Investigative	[17]
2-benzyl-4,5,6,7-tetrachloroisoindoline-1,3-dione	DMH76SO	Discovery agent	N.A.	Investigative	[18]
AZ12260493	DMQ5H2V	Discovery agent	N.A.	Investigative	[19]

Drug(s) Targeting Group IIA phospholipase A2 (GIIA sPLA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
KH064	DMR1NYF	Breast cancer	2C60-2C65	Clinical trial	[20]
B-Octylglucoside	DMMO75G	Discovery agent	N.A.	Investigative	[1]
Lauric Acid	DM9C8KQ	Discovery agent	N.A.	Investigative	[1]
2-(4-phenoxyphenoxy)ethanamine	DM7TBUJ	Discovery agent	N.A.	Investigative	[21]
CACOSPONGIONOLIDE	DMIPJUS	Discovery agent	N.A.	Investigative	[22]
Elaidoylamide	DMP8VDT	Discovery agent	N.A.	Investigative	[1]
Cacospongionolide E	DM2DYAV	Discovery agent	N.A.	Investigative	[22]
N-Tridecanoic Acid	DMNZ37C	Discovery agent	N.A.	Investigative	[2]
CACOSPONGIONOLIDE B	DMCSXNW	Discovery agent	N.A.	Investigative	[22]
BOLINAQUINONE	DMVB6UG	Discovery agent	N.A.	Investigative	[23]

Drug(s) Targeting Tumor necrosis factor (TNF)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Thalidomide	DM70BU5	Multiple myeloma	2A83	Approved	[24]
Nafamostat	DMU1XOD	Pancreatitis	DC31-DC34	Approved	[25]
Pentoxifylline	DMU3DNC	Intermittent claudication	BD40.00	Approved	[26]
Lenalidomide	DM6Q7U4	Multiple myeloma	2A83	Approved	[27]
Enbrel	DM7RNP3	Arthritis	FA20	Approved	[28]
Golimumab	DMHZV7X	Rheumatoid arthritis	FA20	Approved	[29]
Certolizumab	DM5CL9Z	Rheumatoid arthritis	FA20	Approved	[30]
Etanercept	DMCV109	Arthritis	FA20	Approved	[31]
Adalimumab	DMQMV1B	Rheumatoid arthritis	FA20	Approved	[32]
Infliximab	DMH7OIA	Plaque psoriasis	EA90.0	Approved	[33]

Drug(s) Targeting Heme oxygenase 1 (HMOX1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Stannsoporfin	DMEG4TC	Neonatal hyperbilirubinemia	KA87	Phase 2	[34]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[2]
Formic Acid	DMNFZC6	Discovery agent	N.A.	Investigative	[1]
2-Phenylheme	DMPIQTE	Discovery agent	N.A.	Investigative	[1]
Biliverdine Ix Alpha	DMCA0WJ	N. A.	N. A.	Investigative	[1]
Verdoheme	DM7NRK5	Discovery agent	N.A.	Investigative	[35]
Tin protoporphyrin	DMTXJ5S	Discovery agent	N.A.	Investigative	[36]
1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone	DMOTJWZ	Discovery agent	N.A.	Investigative	[2]
12-Phenylheme	DMLR2FB	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting GTP cyclohydrolase-I (GCH1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Guanine	DMIWLJE	N. A.	N. A.	Phase 3	[37]
ProSavin	DMJ42E6	Parkinson disease	8A00.0	Phase 1/2	[38]
OXB-102	DMXF9DM	Parkinson disease	8A00.0	Phase 1/2	[39]
Guanosine-5'-Triphosphate	DMV2OJX	Discovery agent	N.A.	Investigative	[1]
8-hydroxyguanine	DMT9BPN	Discovery agent	N.A.	Investigative	[37]

Drug(s) Targeting Adenosylhomocysteinase (AHCY)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ARISTEROMYCIN	DMRXB74	N. A.	N. A.	Terminated	[40]
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[1]
Neplanocin A	DMXULGK	Discovery agent	N.A.	Investigative	[41]
5'-deoxy-5'-ureidoadenosine	DM8IQX4	Discovery agent	N.A.	Investigative	[42]
5(E)-(5'-Deoxyadenosin-5'-ylidene)pentanoic acid	DM1IGOD	Discovery agent	N.A.	Investigative	[43]
5-methylenearisteromycin	DMIQ1X3	Discovery agent	N.A.	Investigative	[40]
NORARISTEROMYCIN	DMZ9024	Discovery agent	N.A.	Investigative	[44]
D-Eritadenine	DM2XT7S	N. A.	N. A.	Investigative	[1]
5'-S-ethyl-5'-thioadenosine	DM0PQH1	Discovery agent	N.A.	Investigative	[2]
FLUORO-NEPLANOCIN A	DM0LR7G	Discovery agent	N.A.	Investigative	[45]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosylhomocysteinase (AHCY)	TTE2KUJ	SAHH_HUMAN	Inhibitor	[2]
Group IIA phospholipase A2 (GIIA sPLA2)	TTO8QRU	PA2GA_HUMAN	Inhibitor	[2]
GTP cyclohydrolase-I (GCH1)	TTLSWP6	GCH1_HUMAN	Inhibitor	[2]
Heme oxygenase 1 (HMOX1)	TTI6V2A	HMOX1_HUMAN	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Oxysterols receptor LXR-beta (NR1H2)	TTXA6PH	NR1H2_HUMAN	Inhibitor	[1]
Tumor necrosis factor (TNF)	TTF8CQI	TNFA_HUMAN	Inhibitor	[2]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [3] Effect of tilarginine acetate in patients with acute myocardial infarction and cardiogenic shock: the TRIUMPH randomized controlled trial. JAMA. 2007 Apr 18;297(15):1657-66.
• [4] Counter-regulation by atorvastatin of gene modulations induced by L-NAME hypertension is associated with vascular protection. Vascul Pharmacol. 2009 Oct;51(4):253-61.
• [5] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [6] Nitric oxide synthase inhibition with the antipterin VAS203 improves outcome in moderate and severe traumatic brain injury: a placebo-controlled randomized Phase IIa trial (NOSTRA). J Neurotrauma. 2014 Oct 1;31(19):1599-606.
• [7] Nitric oxide synthase inhibitor (MTR-105) during open-heart surgery. A pilot double-blind placebo-controlled study of hemodynamic effects and safety. Cardiology. 2008;111(3):181-7.
• [8] Feasibility of using autologous transplantation to evaluate hematopoietic stem cell-based gene therapy strategies in transgenic mouse models of human disease. Mol Ther. 2002 Sep;6(3):422-8.
• [9] Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] Sterol intermediates from cholesterol biosynthetic pathway as liver X receptor ligands. J Biol Chem. 2006 Sep 22;281(38):27816-26.
• [12] A novel liver X receptor agonist establishes species differences in the regulation of cholesterol 7alpha-hydroxylase (CYP7a). Endocrinology. 2002 Jul;143(7):2548-58.
• [13] Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic tr... J Med Chem. 2008 Nov 27;51(22):7161-8.
• [14] 27-hydroxycholesterol is an endogenous ligand for liver X receptor in cholesterol-loaded cells. J Biol Chem. 2001 Oct 19;276(42):38378-87.
• [15] An oxysterol signalling pathway mediated by the nuclear receptor LXR alpha. Nature. 1996 Oct 24;383(6602):728-31.
• [16] Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J Med Chem. 2008 Sep 25;51(18):5758-65.
• [17] Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development. Bioorg Med Chem. 2008 Apr 15;16(8):4272-85.
• [18] Liver X receptor antagonists with a phthalimide skeleton derived from thalidomide-related glucosidase inhibitors. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3957-61.
• [19] 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. (Target id: 601).
• [20] D-Tyrosine as a chiral precusor to potent inhibitors of human nonpancreatic secretory phospholipase A2 (IIa) with antiinflammatory activity. Chembiochem. 2003 Mar 3;4(2-3):181-5.
• [21] Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem. 2008 Dec 25;51(24):7882-8.
• [22] A new cacospongionolide inhibitor of human secretory phospholipase A2 from the Tyrrhenian sponge Fasciospongia cavernosa and absolute configuration... J Nat Prod. 1998 Jul;61(7):931-5.
• [23] New sesquiterpene derivatives from the sponge Dysidea species with a selective inhibitor profile against human phospholipase A2 and other leukocyte... J Nat Prod. 2001 May;64(5):612-5.
• [24] Efficacy of different thalidomide regimens for patients with multiple myeloma and its relationship with TNF-alpha level. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2008 Dec;16(6):1312-5.
• [25] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [26] Targeted therapies in myelodysplastic syndromes: ASH 2003 review. Semin Hematol. 2004 Apr;41(2 Suppl 4):13-20.
• [27] Thalidomide and thalidomide analogues for maintenance of remission in Crohn's disease. Cochrane Database Syst Rev. 2009 Apr 15;(2):CD007351.
• [28] Oral pentoxifylline inhibits release of tumor necrosis factor-alpha from human peripheral blood monocytes : a potential treatment for aseptic loose... J Bone Joint Surg Am. 2001 Jul;83(7):1057-61.
• [29] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
• [30] Emerging drugs for rheumatoid arthritis. Expert Opin Emerg Drugs. 2008 Mar;13(1):175-96.
• [31] The potential of biologics for the treatment of asthma. Nat Rev Drug Discov. 2012 Dec;11(12):958-72.
• [32] Adalimumab for psoriasis patients who are non-responders to etanercept: open-label prospective evaluation. J Eur Acad Dermatol Venereol. 2009 Dec;23(12):1394-7.
• [33] Drug insight: tumor necrosis factor-converting enzyme as a pharmaceutical target for rheumatoid arthritis. Nat Clin Pract Rheumatol. 2008 Jun;4(6):300-9.
• [34] Chemoprevention of severe neonatal hyperbilirubinemia. Semin Perinatol. 2004 Oct;28(5):365-8.
• [35] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [36] Adenovirus-mediated heme oxygenase-1 gene delivery inhibits injury-induced vascular neointima formation. Circulation. 2001 Nov 27;104(22):2710-5.
• [37] GTP cyclohydrolase I feedback regulatory protein-dependent and -independent inhibitors of GTP cyclohydrolase I. Arch Biochem Biophys. 2001 Apr 1;388(1):67-73.
• [38] Clinical pipeline report, company report or official report of Oxford BioMedica.
• [39] Clinical pipeline report, company report or official report of Oxford BioMedica.
• [40] Synthesis of 2-modified aristeromycins and their analogs as potent inhibitors against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase. Bioorg Med Chem. 2008 Apr 1;16(7):3809-15.
• [41] Molecular approaches for the treatment of hemorrhagic fever virus infections. Antiviral Res. 1993 Sep;22(1):45-75.
• [42] Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active ... Bioorg Med Chem Lett. 2007 Aug 15;17(16):4456-9.
• [43] Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl u... Bioorg Med Chem. 2008 May 15;16(10):5424-33.
• [44] Synthesis of 4'-modified noraristeromycins to clarify the effect of the 4'-hydroxyl groups for inhibitory activity against S-adenosyl-L-homocystein... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2615-8.
• [45] Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-a... Bioorg Med Chem Lett. 2004 Nov 15;14(22):5641-4.