Details of the Drug

General Information of Drug (ID: DM2TO9R)

Drug Name

Desflurane

Synonyms

Desflurano; Desfluranum; Suprane; I 653; I653; PC6781E; Desflurane [USAN:INN]; Desflurano [INN-Spanish]; Desfluranum [INN-Latin]; I-653; R-e 236ea1; Suprane (TN); Desflurane (JAN/USP/INN); Difluoromethyl 1,2,2,2-tetrafluoroethyl ether; (+-)-2-Difluoromethyl 1,2,2,2-tetrafluoroethyl ether; 1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane; 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane

Indication

Disease Entry	ICD 11	Status	REF
Anaesthesia	9A78.6	Approved	[1], [2]

Therapeutic Class

Anesthetics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

168.04

Topological Polar Surface Area (xlogp)

2.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

ADMET Property

Elimination: 0.002% of drug is excreted from urine in the unchanged form, and most of drug is rapidly excreted from the lungs [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 8.16 +/- 3.15 minutes [4]
Metabolism: The drug is metabolized via the CYP2E1 [5]
Vd: The volume of distribution (Vd) of drug is 0.612 L/kg [6]

Chemical Identifiers

Formula: C3H2F6O
IUPAC Name: 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Canonical SMILES: C(C(F)(F)F)(OC(F)F)F
InChI: InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey: DPYMFVXJLLWWEU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 42113
ChEBI ID: CHEBI:4445
CAS Number: 57041-67-5
DrugBank ID: DB01189
TTD ID: D0H4GN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Antagonist	[7]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Anaesthesia

ICD Disease Classification

9A78.6

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor AMPA (GRIA)	DTT	NO-GeName	1.79E-04	-0.69	-0.58

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	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: 7156).
2	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 020118.
3	Lu CC, Tsai CS, Hu OY, Chen RM, Chen TL, Ho ST, Gan TJ: Pharmacokinetics of desflurane elimination from respiratory gas and blood during the 20 minutes after cardiac surgery. J Formos Med Assoc. 2013 Apr;112(4):185-92. doi: 10.1016/j.jfma.2012.01.017. Epub 2012 May 20.
4	Recovery and pharmacokinetic parameters of desflurane, sevoflurane, and isoflurane in patients undergoing urologic procedures. J Clin Anesth. 1999 Sep;11(6):460-5. doi: 10.1016/s0952-8180(99)00082-3.
5	Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4.
6	Wissing H, Kuhn I, Rietbrock S, Fuhr U: Pharmacokinetics of inhaled anaesthetics in a clinical setting: comparison of desflurane, isoflurane and sevoflurane. Br J Anaesth. 2000 Apr;84(4):443-9. doi: 10.1093/oxfordjournals.bja.a013467.
7	Modulation of NMDA receptor function by ketamine and magnesium. Part II: interactions with volatile anesthetics. Anesth Analg. 2001 May;92(5):1182-91.
8	Reduced inhibition of cortical glutamate and GABA release by halothane in mice lacking the K+ channel, TREK-1. Br J Pharmacol. 2007 Nov;152(6):939-45.
9	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
10	Eszopiclone: its use in the treatment of insomnia. Neuropsychiatr Dis Treat. 2007 Aug;3(4):441-453.
11	Effects of sevoflurane on carrageenan- and fentanyl-induced pain hypersensitivity in Sprague-Dawley rats. Can J Anaesth. 2009 Feb;56(2):126-35.
12	Enflurane directly depresses glutamate AMPA and NMDA currents in mouse spinal cord motor neurons independent of actions on GABAA or glycine receptors. Anesthesiology. 2000 Oct;93(4):1075-84.
13	Transmembrane residues define the action of isoflurane at the GABAA receptor alpha-3 subunit. Brain Res. 2005 Jan 25;1032(1-2):30-5.
14	Glutamatergic and GABAergic modulations of ultrasonic vocalizations during maternal separation distress in mouse pups. Psychopharmacology (Berl). 2009 May;204(1):61-71.
15	GABA(A) receptor ligands and their therapeutic potentials. Curr Top Med Chem. 2002 Aug;2(8):817-32.
16	Pharmacologic management of Alzheimer disease, Part II: Antioxidants, antihypertensives, and ergoloid derivatives. Ann Pharmacother. 1999 Feb;33(2):188-97.
17	Anaesthetic drugs: linking molecular actions to clinical effects. Curr Pharm Des. 2006;12(28):3665-79.