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

General Information of Drug (ID: DMB5U3P)

• Drug Name: 1,1,1-trifluoroheptadecan-2-one Drug Info
• Synonyms: PACOCF3; 1,1,1-trifluoroheptadecan-2-one; 141022-99-3; palmityl trifluoromethyl ketone; Palmitoyl Trifluoromethyl Ketone; CHEMBL99344; 1,1,1-Trifluoro-2-heptadecanone; SR-01000597566; Tocris-1460; AC1L1IOS; AC1Q4I4P; SCHEMBL4653611; Pentadecyl trifluoromethyl ketone; CTK4C2431; C17H31F3O; DTXSID00274441; MAHYXYTYTLCTQD-UHFFFAOYSA-N; MolPort-003-983-793; HMS3649G09; 1,1,1-Trifluoroheptadecen-2-one; HMS3267L18; ZINC8036041; IN1174; BS0141; HSCI1_000022; BDBM50085494; 1974AH; 1,1,1-Trifluoro-2-heptadecanone #; AKOS017343267

Indication

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

• Cross-matching ID:
  PubChem CID: 4670
  CAS Number: CAS 141022-99-3
  TTD Drug ID: DMB5U3P

Molecule-Related Drug Atlas

Drug(s) Targeting Cytosolic phospholipase A2 (GIVA cPLA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ZPL521	DMPZE2G	Atopic dermatitis	EA80	Phase 1/2	[3]
EFIPLADIB	DMJ0A5U	Asthma	CA23	Terminated	[4]
1,1,1-Trifluoro-7-phenylheptan-2-one	DMLHVWP	Discovery agent	N.A.	Investigative	[1]
ARACHIDONYL TRIFLUOROMETHYLKETONE	DMHL48F	Discovery agent	N.A.	Investigative	[5]
1,1,1-Trifluoro-8-phenyl-octan-2-one	DMYENI7	Discovery agent	N.A.	Investigative	[1]
AR-C70484XX	DMU3A57	Discovery agent	N.A.	Investigative	[6]
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one	DM3JHVL	Discovery agent	N.A.	Investigative	[6]
AX-006	DMDWCY7	Discovery agent	N.A.	Investigative	[7]
N-(4-Ethoxybutyl)-2-oxohexadecanamide	DM012TN	Discovery agent	N.A.	Investigative	[8]
[3,4''']biflavone	DMHU4NS	Discovery agent	N.A.	Investigative	[9]

Drug(s) Affected By Insulin (INS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tolbutamide	DM02AWV	Advanced cancer	2A00-2F9Z	Approved	[10]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[11]
Epinephrine	DM3KJBC	Acute asthma	CA23	Approved	[12]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[13]
Fructose	DM43AN2	Vomiting	MD90	Approved	[14]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[15]
Glimepiride	DM5FSJA	Diabetic complication	5A2Y	Approved	[16]
Clonidine	DM6RZ9Q	Attention deficit hyperactivity disorder	6A05.Z	Approved	[17]
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[18]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytosolic phospholipase A2 (GIVA cPLA2)	TTT1JVS	PA24A_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Insulin (INS)	OTZ85PDU	INS_HUMAN	Protein Interaction/Cellular Processes	[2]

References

• [1] Synthesis of polyfluoro ketones for selective inhibition of human phospholipase A2 enzymes. J Med Chem. 2008 Dec 25;51(24):8027-37.
• [2] The role of arachidonic acid and its metabolites in insulin secretion from human islets of langerhans. Diabetes. 2007 Jan;56(1):197-203. doi: 10.2337/db06-0490.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] Reactions of functionalized sulfonamides: application to lowering the lipophilicity of cytosolic phospholipase A2alpha inhibitors. J Med Chem. 2009 Feb 26;52(4):1156-71.
• [5] 85-kDa cPLA(2) plays a critical role in PPAR-mediated gene transcription in human hepatoma cells. Am J Physiol Gastrointest Liver Physiol. 2002 Apr;282(4):G586-97.
• [6] 1-Indol-1-yl-propan-2-ones and related heterocyclic compounds as dual inhibitors of cytosolic phospholipase A(2)alpha and fatty acid amide hydrolase. Bioorg Med Chem. 2010 Jan 15;18(2):945-52.
• [7] 2-Oxoamide inhibitors of phospholipase A2 activity and cellular arachidonate release based on dipeptides and pseudodipeptides. Bioorg Med Chem. 2009 Jul 1;17(13):4833-43.
• [8] Structure-activity relationships of natural and non-natural amino acid-based amide and 2-oxoamide inhibitors of human phospholipase A(2) enzymes. Bioorg Med Chem. 2008 Dec 15;16(24):10257-69.
• [9] Inhibitory effect of synthetic C-C biflavones on various phospholipase A(2)s activity. Bioorg Med Chem. 2007 Nov 15;15(22):7138-43.
• [10] Amino acid polymorphisms in the ATP-regulatable inward rectifier Kir6.2 and their relationships to glucose- and tolbutamide-induced insulin secretion, the insulin sensitivity index, and NIDDM. Diabetes. 1997 Mar;46(3):508-12. doi: 10.2337/diab.46.3.508.
• [11] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [12] A receptor mechanism for the inhibition of insulin release by epinephrine in man. J Clin Invest. 1967 Jan;46(1):86-94. doi: 10.1172/JCI105514.
• [13] Vasodilatory effects of troglitazone improve blood pressure at rest and during mental stress in type 2 diabetes mellitus. Hypertension. 1999 Jul;34(1):83-8. doi: 10.1161/01.hyp.34.1.83.
• [14] Quinapril treatment restores the vasodilator action of insulin in fructose-hypertensive rats. Clin Exp Pharmacol Physiol. 2002 May-Jun;29(5-6):381-5. doi: 10.1046/j.1440-1681.2002.03668.x.
• [15] Retinoic acid can induce markers of endocrine transdifferentiation in pancreatic ductal adenocarcinoma: preliminary observations from an in vitro cell line model. J Clin Pathol. 2006 Jun;59(6):603-10. doi: 10.1136/jcp.2005.032003. Epub 2006 Feb 10.
• [16] Effects of prolonged in vitro exposure to sulphonylureas on the function and survival of human islets. J Diabetes Complications. 2005 Jan-Feb;19(1):60-4. doi: 10.1016/j.jdiacomp.2004.05.001.
• [17] Clonidine effect on insulin secretion and lipolysis in man. Acta Diabetol Lat. 1978 May-Aug;15(3-4):192-7. doi: 10.1007/BF02581064.
• [18] Beta-adrenergic contribution to glucagon-induced glucose production and insulin secretion in uremia. Am J Physiol. 1986 Sep;251(3 Pt 1):E322-7. doi: 10.1152/ajpendo.1986.251.3.E322.
• [19] Effect of testosterone replacement on whole body glucose utilisation and other cardiovascular risk factors in males with idiopathic hypogonadotrophic hypogonadism. Horm Metab Res. 1998 Oct;30(10):642-5. doi: 10.1055/s-2007-978950.