DT-Web

DB00941 - Hexafluronium


Identification
Name Hexafluronium
Accession Number DB00941 (APRD01013)
Type small molecule
Description Hexafluronium bromide is a neuromuscular blocking agent used in anesthesiology to prolong and potentiate the skeletal muscle relaxing action of suxamethonium during surgery. It is known to bind and block the activity of plasma cholinesterases.
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 532.8011
Groups approved
Monoisotopic Weight 532.381749546
Pharmacology
Indication Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations.
Mechanism of action Hexafluronium bromide is a non-competitive reversible inhibitor of human plasma cholinesterase or pseudocholinesterase. Hexafluornium probably binds to anionic side receptors near the active center, causing a conformational change in the enzyme, preventing acylation of the esteratic site. The esteratic site on cholistereases is where acetylcholine is hydrolyzed to acetic acid and choline.
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity LD50 = 280 mg/kg (mouse, oral)
Affected organisms
  • Humans and other mammals
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Cholinesterase
Name Cholinesterase
Gene Name BCHE
Pharmacological action yes
Actions inhibitor
References
  • Schuh FR: Interaction of hexafluorenium with human plasma cholinesterase in comparison with hexamethonium. Naunyn Schmiedebergs Arch Pharmacol. 1976;293(1):11-3. - Pubmed
  • Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. - Pubmed
DTHybrid score 0.5588

Predictions


Id Partner name Gene Name Score
474 Acetylcholinesterase ACHE 0.0937
813 Neuronal acetylcholine receptor subunit alpha-2 CHRNA2 0.0328
617 Muscarinic acetylcholine receptor M2 CHRM2 0.0297
198 Sodium channel protein type 10 subunit alpha SCN10A 0.0246
458 Neuronal acetylcholine receptor subunit alpha-10 CHRNA10 0.0236
766 Beta-2 adrenergic receptor ADRB2 0.0231
2433 Capsid protein P40 UL80 0.0213
3569 Capsid protein P40 BVRF2 0.0213
1588 Multidrug resistance protein 1 ABCB1 0.0212
103 Muscarinic acetylcholine receptor M1 CHRM1 0.0203
2049 Gastrin/cholecystokinin type B receptor CCKBR 0.0191
3076 Antigen 85-C fbpC 0.0187
4512 Cytochrome P450 3A4 CYP3A4 0.018
51 Muscarinic acetylcholine receptor M3 CHRM3 0.0176
2796 Parathion hydrolase opd 0.0147
6539 Parathion hydrolase opd 0.0147
3454 Esterase estA 0.0141
706 Glutamate [NMDA] receptor subunit 3A GRIN3A 0.0127
2929 (S)-2-haloacid dehalogenase dhlB 0.0124
2995 (S)-2-haloacid dehalogenase Not Available 0.0124
290 Prostaglandin G/H synthase 2 PTGS2 0.0105
4119 Cytochrome P450 2D6 CYP2D6 0.0104
244 Angiotensin-converting enzyme ACE 0.0101
4674 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase cumD 0.0097
4200 Cytochrome P450 1A2 CYP1A2 0.0097
831 D(2) dopamine receptor DRD2 0.0091
556 Alpha-1A adrenergic receptor ADRA1A 0.0084
1974 Oligopeptide transporter, kidney isoform SLC15A2 0.0082
124 Histamine H2 receptor HRH2 0.008
1539 Oligopeptide transporter, small intestine isoform SLC15A1 0.0079
275 Arachidonate 5-lipoxygenase ALOX5 0.0079
341 5-hydroxytryptamine 3 receptor HTR3A 0.0073
220 Sodium channel protein type 5 subunit alpha SCN5A 0.0071
20 Prostaglandin G/H synthase 1 PTGS1 0.0068
638 D(3) dopamine receptor DRD3 0.0068
6030 Cytochrome P450 2B6 CYP2B6 0.0066
713 Sodium-dependent dopamine transporter SLC6A3 0.0065
85 Growth hormone receptor GHR 0.0065
6145 Solute carrier family 22 member 1 SLC22A1 0.0064
6144 Solute carrier family 22 member 2 SLC22A2 0.0063
3811 Cytochrome P450 19A1 CYP19A1 0.0055
465 Calmodulin CALM1 0.0054
131 Synaptic vesicular amine transporter SLC18A2 0.005
5878 Alpha-7 nicotinic cholinergic receptor subunit CHRFAM7A 0.0049
737 Mineralocorticoid receptor NR3C2 0.0048
1656 CYP2B protein CYP2B 0.0047
4784 Beta-mannosidase manB 0.0046
6695 Beta-mannosidase BT_0458 0.0046
3947 Xanthine dehydrogenase/oxidase XDH 0.0044
318 Alpha-2A adrenergic receptor ADRA2A 0.0044
614 Progesterone receptor PGR 0.0043
6147 Solute carrier family 22 member 3 SLC22A3 0.0043
232 Corticosteroid-binding globulin SERPINA6 0.0043
606 Cytochrome P450 27, mitochondrial CYP27A1 0.0042
3480 Mannan endo-1,4-beta-mannosidase manA 0.0041
468 Cytochrome P450 4A11 CYP4A11 0.0041
2998 Sialic acid-binding Ig-like lectin 7 SIGLEC7 0.004
146 Androgen receptor AR 0.0039
23 D(1A) dopamine receptor DRD1 0.0037
587 Serum albumin ALB 0.0037
540 Sodium-dependent noradrenaline transporter SLC6A2 0.0037
871 Glucocorticoid receptor NR3C1 0.0036
4787 Envelope glycoprotein gp160 env 0.0036
4820 Envelope glycoprotein gp160 env 0.0036
5727 Envelope glycoprotein gp160 env 0.0036
144 Hemoglobin subunit alpha HBA1 0.0036
2297 Genome polyprotein Not Available 0.0034
2322 Genome polyprotein Not Available 0.0034
2694 Genome polyprotein Not Available 0.0034
2719 Genome polyprotein Not Available 0.0034
2860 Genome polyprotein Not Available 0.0034
2928 Genome polyprotein Not Available 0.0034
3160 Genome polyprotein Not Available 0.0034
3260 Genome polyprotein Not Available 0.0034
4783 Genome polyprotein Not Available 0.0034
5726 Genome polyprotein Not Available 0.0034
5779 Genome polyprotein Not Available 0.0034
5867 Genome polyprotein Not Available 0.0034
6253 Genome polyprotein Not Available 0.0034
6301 Genome polyprotein Not Available 0.0034
6380 Genome polyprotein Not Available 0.0034
6381 Genome polyprotein Not Available 0.0034
6437 Genome polyprotein Not Available 0.0034
6520 Genome polyprotein Not Available 0.0034
6521 Genome polyprotein Not Available 0.0034
6652 Genome polyprotein Not Available 0.0034
6734 Genome polyprotein Not Available 0.0034
6735 Genome polyprotein Not Available 0.0034
6736 Genome polyprotein Not Available 0.0034
6737 Genome polyprotein Not Available 0.0034
6738 Genome polyprotein Not Available 0.0034
6739 Genome polyprotein Not Available 0.0034
6744 Genome polyprotein Not Available 0.0034
6748 Genome polyprotein Not Available 0.0034
6894 Genome polyprotein Not Available 0.0034
6898 Genome polyprotein Not Available 0.0034
274 Muscarinic acetylcholine receptor M5 CHRM5 0.0033
1517 Beta-3 adrenergic receptor ADRB3 0.0033
3426 Glutamine synthetase glnA 0.0033
3987 Glutamine synthetase GLUL 0.0033
450 Muscarinic acetylcholine receptor M4 CHRM4 0.0032
1064 DNA (cytosine-5)-methyltransferase 1 DNMT1 0.0032
833 Organic cation/carnitine transporter 1 SLC22A4 0.0032
1178 Adenosine A2a receptor ADORA2A 0.0031
436 5-hydroxytryptamine 2B receptor HTR2B 0.0031
3437 Eosinophil lysophospholipase CLC 0.003
6016 Cytochrome P450 2C19 CYP2C19 0.0029
118 Organic cation/carnitine transporter 2 SLC22A5 0.0028
6131 Carbonic anhydrase 14 CA14 0.0026
4113 Voltage-dependent L-type calcium channel subunit alpha-1F CACNA1F 0.0025
6106 Cytochrome P450 2C18 CYP2C18 0.0025
2207 Rhodopsin RHO 0.0024
1181 Alpha-1-acid glycoprotein 1 ORM1 0.0024
6013 Cytochrome P450 2E1 CYP2E1 0.0023
6082 Neuronal acetylcholine receptor subunit beta-3 CHRNB3 0.0023
6080 Neuronal acetylcholine receptor subunit alpha-5 CHRNA5 0.0023
948 Neuronal acetylcholine receptor subunit beta-2 CHRNB2 0.0023
4785 Ig gamma-1 chain C region IGHG1 0.0022
4097 Neuronal acetylcholine receptor subunit alpha-9 CHRNA9 0.0022
6139 Solute carrier organic anion transporter family member 1A2 SLCO1A2 0.0022
4115 Voltage-dependent L-type calcium channel subunit alpha-1D CACNA1D 0.0021
4111 Voltage-dependent L-type calcium channel subunit alpha-1S CACNA1S 0.0021
6081 Neuronal acetylcholine receptor subunit alpha-6 CHRNA6 0.0021
478 Voltage-dependent L-type calcium channel subunit alpha-1C CACNA1C 0.0021
102 DNA topoisomerase I, mitochondrial TOP1MT 0.002
6078 Neuronal acetylcholine receptor subunit beta-4 CHRNB4 0.0019
6079 Neuronal acetylcholine receptor subunit alpha-3 CHRNA3 0.0017
3929 Phosphoethanolamine/phosphocholine phosphatase PHOSPHO1 0.0017
549 Choline-phosphate cytidylyltransferase B PCYT1B 0.0017
264 Choline/ethanolamine kinase [Includes: Choline kinase beta CHKB 0.0017
3927 Choline transporter-like protein 3 SLC44A3 0.0017
861 Choline kinase alpha CHKA 0.0017
3933 Choline/ethanolaminephosphotransferase CEPT1 0.0017
769 High-affinity choline transporter 1 SLC5A7 0.0017
700 Choline dehydrogenase, mitochondrial CHDH 0.0017
1686 Choline transporter-like protein 1 SLC44A1 0.0017
3926 Choline transporter-like protein 2 SLC44A2 0.0017
3925 Choline transporter-like protein 4 SLC44A4 0.0017
576 Choline O-acetyltransferase CHAT 0.0017
3922 Phospholipase D2 PLD2 0.0017
3924 Phospholipase D1 PLD1 0.0017
4757 Cytochrome P450 2C9 CYP2C9 0.0017
1353 DNA topoisomerase 1 TOP1 0.0017
3552 DNA topoisomerase 1 topA 0.0017
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0017
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0017
4604 Liver carboxylesterase 1 CES1 0.0016
904 Glutathione S-transferase P GSTP1 0.0016
677 Choline-phosphate cytidylyltransferase A PCYT1A 0.0015
6161 Probable low affinity copper uptake protein 2 SLC31A2 0.0014
4095 Neuronal acetylcholine receptor subunit alpha-7 CHRNA7 0.0014
947 Neuronal acetylcholine receptor subunit alpha-4 CHRNA4 0.0014
6163 Copper-transporting ATPase 2 ATP7B 0.0013
6165 Copper-transporting ATPase 1 ATP7A 0.0013
4498 Ornithine cyclodeaminase PP3533 0.0012
6146 High affinity copper uptake protein 1 SLC31A1 0.0012
6018 UDP-glucuronosyltransferase 1-9 UGT1A9 0.0012
4152 Superoxide dismutase [Cu-Zn] SOD1 0.0012
776 Bile salt export pump ABCB11 0.0012
5449 Hypothetical gliding protein mglB 0.0012
5443 UPF0189 protein ymdB ymdB 0.0012
5440 UPF0067 protein yebR yebR 0.0012
4705 Manganese catalase Not Available 0.0012
5439 33 kDa chaperonin hslO 0.0012
5446 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase HI_1679 0.0012
2720 Copper-containing nitrite reductase nirK 0.0012
5448 Ribonuclease Z rnz 0.0012
3781 Thiol:disulfide interchange protein dsbC precursor dsbC 0.0012
5447 Lethal(3)malignant brain tumor-like protein L3MBTL1 0.0012
5454 Internalin-A inlA 0.0012
332 Beta-lactamase blaZ 0.0012
2478 Beta-lactamase ampC 0.0012
2613 Beta-lactamase ampC 0.0012
2635 Beta-lactamase ampC 0.0012
2700 Beta-lactamase penP 0.0012
5445 Beta-lactamase blaB 0.0012
6019 Beta-lactamase SHV-7 0.0012
6701 Beta-lactamase cphA 0.0012
908 Glutathione S-transferase theta-1 GSTT1 0.0012
632 Alpha-1B adrenergic receptor ADRA1B 0.0012
6022 UDP-glucuronosyltransferase 1-1 UGT1A1 0.0011
320 5-hydroxytryptamine 1A receptor HTR1A 0.0011
896 Glutathione S-transferase Mu 1 GSTM1 0.0011
3736 Glyceraldehyde-3-phosphate dehydrogenase A gapA 0.0011
502 5-hydroxytryptamine 2A receptor HTR2A 0.0011
5450 Prolyl endopeptidase Pep pep 0.0011
3356 Diaminopimelate decarboxylase lysA 0.001
6137 Multidrug resistance-associated protein 6 ABCC6 0.001
597 Dihydropteridine reductase QDPR 0.001
4771 Dissimilatory copper-containing nitrite reductase nir 0.001
862 Multidrug resistance-associated protein 1 ABCC1 0.001
3274 Hydroxylamine reductase hcp 0.001
4804 Hydroxylamine reductase hcp 0.001
492 Histamine H1 receptor HRH1 0.001
1490 Solute carrier organic anion transporter family member 1B1 SLCO1B1 0.001
2714 Chorismate mutase aroH 0.001
4611 Chorismate mutase aroG 0.001
2157 NAD(P)H dehydrogenase [quinone] 1 NQO1 0.001
3462 Tyrosine-protein kinase transforming protein Abl ABL 0.001
6136 Multidrug resistance-associated protein 5 ABCC5 0.001
3399 Limonene-1,2-epoxide hydrolase limA 0.001
3697 Bifunctional protein glmU [Includes: UDP-N-acetylglucosamine pyrophosphorylase glmU 0.001
1757 Myeloperoxidase MPO 0.001
4608 Putative cytochrome P450 SCO1207 0.0009
4963 Putative cytochrome P450 SCO2884 0.0009
6254 Putative cytochrome P450 SCO6998 0.0009
5180 L(+)-mandelate dehydrogenase mdlB 0.0009
577 Argininosuccinate lyase ASL 0.0009
3500 Putative family 31 glucosidase yicI yicI 0.0009
4878 Glycoprotein hormones alpha chain CGA 0.0009
1052 Cytotoxic T-lymphocyte protein 4 CTLA4 0.0009
1072 Granzyme B GZMB 0.0009
4889 Ig epsilon chain C region IGHE 0.0009
4877 Beta-mannanase man 0.0009
4871 Endo-beta-N-acetylglucosaminidase F3 endOF3 0.0009
4189 Alpha-galactosidase A GLA 0.0009
4850 Beta-2-glycoprotein 1 APOH 0.0009
4880 Membrane cofactor protein CD46 0.0009
4856 CD209 antigen CD209 0.0009
1354 Beta-glucuronidase GUSB 0.0009
757 Fusion glycoprotein F0 F 0.0009
4875 Fusion glycoprotein F0 F 0.0009
4869 Major capsid protein A430L 0.0009
4852 Reticulon-4 receptor RTN4R 0.0009
4845 ADAM 33 ADAM33 0.0009
1563 Platelet glycoprotein Ib alpha chain GP1BA 0.0009
442 Envelope glycoprotein gp41 0.0009
4859 Envelope glycoprotein env 0.0009
4882 Dipeptidyl aminopeptidase-like protein 6 DPP6 0.0009
4721 Beta-1,4-mannanase manA 0.0009
3352 Structural polyprotein Not Available 0.0009
3628 Structural polyprotein Not Available 0.0009
4892 Structural polyprotein Not Available 0.0009
1615 Chymase CMA1 0.0009
6107 Cytochrome P450 3A7 CYP3A7 0.0009
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.0009
2597 Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] glmS 0.0008
365 Dihydrofolate reductase DHFR 0.0008
2381 Dihydrofolate reductase DFR1 0.0008
2833 Dihydrofolate reductase Not Available 0.0008
2931 Dihydrofolate reductase folA 0.0008
3544 Dihydrofolate reductase folA 0.0008
3682 Dihydrofolate reductase folA 0.0008
6642 Dihydrofolate reductase folA 0.0008
6756 Dihydrofolate reductase dfrA 0.0008
4118 Cytochrome P450 3A5 CYP3A5 0.0008
287 Beta-1,4-galactosyltransferase 1 B4GALT1 0.0008
4861 Interleukin-6 receptor alpha chain IL6R 0.0008
793 T-cell surface antigen CD2 CD2 0.0008
119 Carcinoembryonic antigen-related cell adhesion molecule 1 CEACAM1 0.0008
4193 Atrial natriuretic peptide clearance receptor NPR3 0.0008
3837 Cytokine receptor common beta chain CSF2RB 0.0008
4890 Hemagglutinin HA 0.0007
6566 Hemagglutinin Not Available 0.0007
1379 Interleukin-12 subunit beta IL12B 0.0007
4857 Zinc-alpha-2-glycoprotein AZGP1 0.0007
6858 Inactive carboxylesterase 4 CES1P1 0.0007
1184 Interferon beta IFNB1 0.0007
364 Corticosteroid 11-beta-dehydrogenase isozyme 1 HSD11B1 0.0007
6120 Cation-independent mannose-6-phosphate receptor IGF2R 0.0007
18 High affinity immunoglobulin epsilon receptor subunit alpha FCER1A 0.0006
554 Low-density lipoprotein receptor LDLR 0.0006
852 Heparin cofactor 2 SERPIND1 0.0006
1859 Prostatic acid phosphatase ACPP 0.0006
3444 Cyanovirin-N Not Available 0.0006
3140 Hemagglutinin-neuraminidase HN 0.0006
3609 Hemagglutinin-neuraminidase HN 0.0006
595 Fibrinogen alpha chain FGA 0.0006
3258 Mannosyl-oligosaccharide alpha-1,2-mannosidase MSDC 0.0006
4666 Fucose-binding lectin PA-IIL lecB 0.0005
2372 Bifunctional tail protein 9 0.0005
958 Insulin-like growth factor 1 receptor IGF1R 0.0005
2577 Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase MAN1B1 0.0005
3814 Complement C1r subcomponent C1R 0.0005
64 Neuraminidase NA 0.0005
641 Neuraminidase NA 0.0005
2676 Neuraminidase NA 0.0005
3026 Neuraminidase NA 0.0005
3519 Neuraminidase NA 0.0005
6007 Neuraminidase NA 0.0005
1243 Cathepsin D CTSD 0.0005
1439 Lactotransferrin LTF 0.0005
1782 Neutrophil gelatinase-associated lipocalin LCN2 0.0005
309 Antithrombin-III SERPINC1 0.0005
2430 Chondroitinase B cslB 0.0004
6307 Ig gamma-2 chain C region IGHG2 0.0004
2581 Chondroitinase AC cslA 0.0004
6847 Lactase-phlorizin hydrolase LCT 0.0004
6500 Phospholipase A2 PLA2G1B 0.0004
76 Nitric-oxide synthase, brain NOS1 0.0003
952 Dipeptidyl peptidase 4 DPP4 0.0003
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