Details of the Drug

General Information of Drug (ID: DMBSK7X)

Drug Name

Isoflurophate

Synonyms

DFP; DIFP; Diflupyl; Diflurophate; Diisopropylfluorfosfat; Diisopropylfluorophosphate; Diisopropylfluorphosphorsaeureester; Diisopropylphosphofluoridate; Diisopropylphosphorofluoridate; Dyflos; Floropryl; Fluoropryl; Fluorostigmine; Fluostigmine; Fluropryl; Isofluorophate; Isofluorphate; Isoflurophosphate; Neoglaucit; Di isopropylphosphorofluoridate; Diisopropoxyphosphoryl fluoride; Diisopropyl fluoridophosphate; Diisopropyl fluorophosphate; Diisopropyl fluorophosphonate; Diisopropyl phosphofluoridate; Diisopropyl phosphorofluoridate; Diisopropylfluorfosfat [Czech]; Diisopropylfluorophosphoric acid ester; Diisopropylfluorphosphorsaeureester [German]; Disiopropyl fluorophosphonate; Fluorodiisopropyl phosphate; Isoflurophate [USP]; Isopropyl fluophosphate; Isopropyl phosphorofluoridate; Merck Brand of Isoflurophate; Phosphoric acid diisopropyl ester fluoride; EA 1152; TL 466; DIISOPROPYL-FLUOROPHOSPHATE; Di-isopropylphosphorofluoridate; Floropryl (TN); Fluophosphoric acid, diisopropyl ester; Fluorophosphoric acid, diisopropyl ester; Isoflurophate (USP); PF-3; Phosphorofluoridic acid, diisopropyl ester; T-1703; Bis(1-methylethyl) Phosphorofluoridate; Dipropan-2-yl phosphorofluoridoate; O,O-Diisopropyl fluorophosphate; Bis(propan-2-yl) fluorophosphate; O,O'-Diisopropyl phosphoryl fluoride; Phosphorofluoridic acid, bis(1-methylethyl) ester; 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane

Indication

Disease Entry	ICD 11	Status	REF
Glaucoma/ocular hypertension	9C61	Approved	[1]
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Therapeutic Class

Antiglaucomic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

184.15

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H14FO3P
IUPAC Name: 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
Canonical SMILES: CC(C)OP(=O)(OC(C)C)F
InChI: InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
InChIKey: MUCZHBLJLSDCSD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5936
ChEBI ID: CHEBI:17941
CAS Number: 55-91-4
DrugBank ID: DB00677
TTD ID: D0B2OT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[3]
Albumin (ALB)	OTVMM513	ALBU_HUMAN	Protein Interaction/Cellular Processes	[4]
Aromatic-L-amino-acid decarboxylase (DDC)	OT0TSW09	DDC_HUMAN	Protein Interaction/Cellular Processes	[5]
Cholinesterase (BCHE)	OTOH3WQ9	CHLE_HUMAN	Gene/Protein Processing	[6]
Glucocorticoid receptor (NR3C1)	OTCI2YDI	GCR_HUMAN	Protein Interaction/Cellular Processes	[7]
Glutamate decarboxylase 1 (GAD1)	OT52Z39J	DCE1_HUMAN	Protein Interaction/Cellular Processes	[5]
Glutamate decarboxylase 2 (GAD2)	OTW1GLEM	DCE2_HUMAN	Protein Interaction/Cellular Processes	[5]
Histidine decarboxylase (HDC)	OT4WA5YQ	DCHS_HUMAN	Protein Interaction/Cellular Processes	[5]
Patatin-like phospholipase domain-containing protein 6 (PNPLA6)	OTT5T45Q	PLPL6_HUMAN	Gene/Protein Processing	[8]
Serotransferrin (TF)	OT41PEMS	TRFE_HUMAN	Protein Interaction/Cellular Processes	[9]

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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

Glaucoma/ocular hypertension

ICD Disease Classification

9C61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Isoflurophate (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Scopolamine	DMOM8AL	Moderate	Antagonize the effect of Isoflurophate when combined with Scopolamine.	Addictive disorder [6C50-6C5Z]	[10]
Mepyramine	DMB4SFH	Moderate	Antagonize the effect of Isoflurophate when combined with Mepyramine.	Allergic/hypersensitivity disorder [4A80-4A8Z]	[10]
Phenyltoloxamine	DMKAEQW	Moderate	Antagonize the effect of Isoflurophate when combined with Phenyltoloxamine.	Allergic/hypersensitivity disorder [4A80-4A8Z]	[10]
Desipramine	DMT2FDC	Moderate	Antagonize the effect of Isoflurophate when combined with Desipramine.	Attention deficit hyperactivity disorder [6A05]	[10]
Umeclidinium	DM4E8O9	Moderate	Antagonize the effect of Isoflurophate when combined with Umeclidinium.	Chronic obstructive pulmonary disease [CA22]	[10]
Tiotropium	DMFDC0Q	Moderate	Antagonize the effect of Isoflurophate when combined with Tiotropium.	Chronic obstructive pulmonary disease [CA22]	[10]
Revefenacin	DMMP5SI	Moderate	Antagonize the effect of Isoflurophate when combined with Revefenacin.	Chronic obstructive pulmonary disease [CA22]	[10]
Trimipramine	DM1SC8M	Moderate	Antagonize the effect of Isoflurophate when combined with Trimipramine.	Depression [6A70-6A7Z]	[10]
Cyclobenzaprine	DM1YBRM	Moderate	Antagonize the effect of Isoflurophate when combined with Cyclobenzaprine.	Depression [6A70-6A7Z]	[10]
OPC-34712	DMHG57U	Moderate	Antagonize the effect of Isoflurophate when combined with OPC-34712.	Depression [6A70-6A7Z]	[10]
Clomipramine	DMINRKW	Moderate	Antagonize the effect of Isoflurophate when combined with Clomipramine.	Depression [6A70-6A7Z]	[10]
Doxepin	DMPI98T	Moderate	Antagonize the effect of Isoflurophate when combined with Doxepin.	Depression [6A70-6A7Z]	[10]
Mepenzolate	DM8YU2F	Moderate	Antagonize the effect of Isoflurophate when combined with Mepenzolate.	Digestive system disease [DE2Z]	[10]
Oxybutynine	DMJPBAX	Moderate	Antagonize the effect of Isoflurophate when combined with Oxybutynine.	Discovery agent [N.A.]	[10]
Meclizine	DMS7T13	Moderate	Antagonize the effect of Isoflurophate when combined with Meclizine.	Dizziness and giddiness [MB48]	[10]
Diphenhydramine	DMKQTBA	Moderate	Antagonize the effect of Isoflurophate when combined with Diphenhydramine.	Episodic vestibular syndrome [AB31]	[10]
Tropicamide	DM1D90W	Moderate	Antagonize the effect of Isoflurophate when combined with Tropicamide.	Eye anterior segment structural developmental anomaly [LA11]	[10]
Solifenacin	DMG592Q	Moderate	Antagonize the effect of Isoflurophate when combined with Solifenacin.	Functional bladder disorder [GC50]	[10]
Tolterodine	DMSHPW8	Moderate	Antagonize the effect of Isoflurophate when combined with Tolterodine.	Functional bladder disorder [GC50]	[10]
Propantheline	DM2EN6G	Moderate	Antagonize the effect of Isoflurophate when combined with Propantheline.	Gastric ulcer [DA60]	[10]
Cyclopentolate	DMA8LM5	Moderate	Antagonize the effect of Isoflurophate when combined with Cyclopentolate.	General examination [QA00]	[10]
Belladonna	DM2RBWK	Moderate	Antagonize the effect of Isoflurophate when combined with Belladonna.	Infectious gastroenteritis/colitis [1A40]	[10]
ITI-007	DMUQ1DO	Moderate	Antagonize the effect of Isoflurophate when combined with ITI-007.	Insomnia [7A00-7A0Z]	[10]
Clidinium	DMUMQZ0	Moderate	Antagonize the effect of Isoflurophate when combined with Clidinium.	Irritable bowel syndrome [DD91]	[10]
Dicyclomine	DMZSDGX	Moderate	Antagonize the effect of Isoflurophate when combined with Dicyclomine.	Irritable bowel syndrome [DD91]	[10]
Thalidomide	DM70BU5	Moderate	Increased risk of ventricular arrhythmias by the combination of Isoflurophate and Thalidomide.	Multiple myeloma [2A83]	[11]
Siponimod	DM2R86O	Major	Increased risk of bradycardia by the combination of Isoflurophate and Siponimod.	Multiple sclerosis [8A40]	[11]
Fingolimod	DM5JVAN	Moderate	Increased risk of atrioventricular block by the combination of Isoflurophate and Fingolimod.	Multiple sclerosis [8A40]	[12]
Ozanimod	DMT6AM2	Moderate	Increased risk of atrioventricular block by the combination of Isoflurophate and Ozanimod.	Multiple sclerosis [8A40]	[13]
Dimenhydrinate	DM264B3	Moderate	Antagonize the effect of Isoflurophate when combined with Dimenhydrinate.	Nausea/vomiting [MD90]	[10]
Promethazine	DM6I5GR	Moderate	Antagonize the effect of Isoflurophate when combined with Promethazine.	Nausea/vomiting [MD90]	[10]
Flavoxate	DMKV4NL	Moderate	Antagonize the effect of Isoflurophate when combined with Flavoxate.	Pain [MG30-MG3Z]	[10]
Biperiden	DME78OA	Moderate	Antagonize the effect of Isoflurophate when combined with Biperiden.	Parkinsonism [8A00]	[10]
Orphenadrine	DMW542E	Moderate	Antagonize the effect of Isoflurophate when combined with Orphenadrine.	Parkinsonism [8A00]	[10]
Methylscopolamine	DM5VWOB	Moderate	Antagonize the effect of Isoflurophate when combined with Methylscopolamine.	Peptic ulcer [DA61]	[10]
Quetiapine	DM1N62C	Moderate	Antagonize the effect of Isoflurophate when combined with Quetiapine.	Schizophrenia [6A20]	[10]
Mesoridazine	DM2ZGAN	Moderate	Antagonize the effect of Isoflurophate when combined with Mesoridazine.	Schizophrenia [6A20]	[10]
Thioridazine	DM35M8J	Moderate	Antagonize the effect of Isoflurophate when combined with Thioridazine.	Schizophrenia [6A20]	[10]
Aripiprazole	DM3NUMH	Moderate	Antagonize the effect of Isoflurophate when combined with Aripiprazole.	Schizophrenia [6A20]	[10]
Perphenazine	DMA4MRX	Moderate	Antagonize the effect of Isoflurophate when combined with Perphenazine.	Schizophrenia [6A20]	[10]
Molindone	DMAH70G	Moderate	Antagonize the effect of Isoflurophate when combined with Molindone.	Schizophrenia [6A20]	[10]
Thiothixene	DMDINC4	Moderate	Antagonize the effect of Isoflurophate when combined with Thiothixene.	Schizophrenia [6A20]	[10]
Trifluoperazine	DMKBYWI	Moderate	Antagonize the effect of Isoflurophate when combined with Trifluoperazine.	Schizophrenia [6A20]	[10]
Risperidone	DMN6DXL	Moderate	Antagonize the effect of Isoflurophate when combined with Risperidone.	Schizophrenia [6A20]	[10]
Pimozide	DMW83TP	Moderate	Antagonize the effect of Isoflurophate when combined with Pimozide.	Schizophrenia [6A20]	[10]
Chlorpheniramine	DM5URA2	Moderate	Antagonize the effect of Isoflurophate when combined with Chlorpheniramine.	Vasomotor/allergic rhinitis [CA08]	[10]
Carbinoxamine	DMCT31R	Moderate	Antagonize the effect of Isoflurophate when combined with Carbinoxamine.	Vasomotor/allergic rhinitis [CA08]	[10]
Brompheniramine	DMFOVSD	Moderate	Antagonize the effect of Isoflurophate when combined with Brompheniramine.	Vasomotor/allergic rhinitis [CA08]	[10]
Acrivastine	DMTIGA0	Moderate	Antagonize the effect of Isoflurophate when combined with Acrivastine.	Vasomotor/allergic rhinitis [CA08]	[10]
Procainamide	DMNMXR8	Moderate	Antagonize the effect of Isoflurophate when combined with Procainamide.	Ventricular tachyarrhythmia [BC71]	[10]
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References

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2	Rational design of alkylene-linked bis-pyridiniumaldoximes as improved acetylcholinesterase reactivators. Chem Biol. 2003 Jun;10(6):491-502.
3	In vitro oxime protection of human red blood cell acetylcholinesterase inhibited by diisopropyl-fluorophosphate. J Appl Toxicol. 2008 May;28(4):422-9. doi: 10.1002/jat.1344.
4	Albumin, a new biomarker of organophosphorus toxicant exposure, identified by mass spectrometry. Toxicol Sci. 2005 Feb;83(2):303-12. doi: 10.1093/toxsci/kfi023. Epub 2004 Nov 3.
5	Decarboxylases as hypothetical targets for actions of organophosphates: Molecular modeling for prediction of hidden and unexpected health threats. Food Chem Toxicol. 2022 Mar;161:112856. doi: 10.1016/j.fct.2022.112856. Epub 2022 Feb 11.
6	Butyrylcholinesterase, paraoxonase, and albumin esterase, but not carboxylesterase, are present in human plasma. Biochem Pharmacol. 2005 Nov 25;70(11):1673-84.
7	Characterization of glucocorticoid receptors and glucocorticoid receptor mRNA in human leukemia cells: stabilization of the receptor by diisopropylfluorophosphate. Blood. 1987 Mar;69(3):750-6.
8	Constructs of human neuropathy target esterase catalytic domain containing mutations related to motor neuron disease have altered enzymatic properties. Toxicol Lett. 2010 Jul 1;196(2):67-73. doi: 10.1016/j.toxlet.2010.03.1120. Epub 2010 Apr 9.
9	Tyrosines of human and mouse transferrin covalently labeled by organophosphorus agents: a new motif for binding to proteins that have no active site serine. Toxicol Sci. 2009 Jan;107(1):144-55. doi: 10.1093/toxsci/kfn211. Epub 2008 Oct 16.
10	Multum Information Services, Inc. Expert Review Panel.
11	Cerner Multum, Inc. "Australian Product Information.".
12	Product Information. Gilenya (fingolimod). Novartis Pharmaceuticals, East Hanover, NJ.
13	Product Information. Zeposia (ozanimod). Celgene Corporation, Summit, NJ.