Detailed information for compound 290553

Basic information

Technical information
  • TDR Targets ID: 290553
  • Name: 2-[3-[(E)-[1-[3-[4-[(E)-3-(1,3-dioxoisoindol- 2-yl)propoxyiminomethyl]pyridin-1-ium-1-yl]pr opyl]pyridin-1-ium-4-yl]methylideneamino]oxyp ropyl]isoindole-1,3-dione dibromide
  • MW: 820.526 | Formula: C37H36Br2N6O6
  • H donors: 0 H acceptors: 4 LogP: 6.06 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1N(CCCO/N=C/c2cc[n+](cc2)CCC[n+]2ccc(cc2)/C=N/OCCCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2.[Br-].[Br-]
  • InChi: 1S/C37H36N6O6.2BrH/c44-34-30-8-1-2-9-31(30)35(45)42(34)18-6-24-48-38-26-28-12-20-40(21-13-28)16-5-17-41-22-14-29(15-23-41)27-39-49-25-7-19-43-36(46)32-10-3-4-11-33(32)37(43)47;;/h1-4,8-15,20-23,26-27H,5-7,16-19,24-25H2;2*1H/q+2;;/p-2/b38-26+,39-27+;;
  • InChiKey: OZIQXZVPFWAJHK-HADHQYQMSA-L  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[(E)-[1-[3-[4-[(E)-3-(1,3-dioxoisoindolin-2-yl)propoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methyleneamino]oxypropyl]isoindoline-1,3-dione dibromide
  • 2-[3-[(E)-[1-[3-[4-[(E)-3-(1,3-dioxo-2-isoindolinyl)propoxyiminomethyl]-1-pyridin-1-iumyl]propyl]-4-pyridin-1-iumyl]methyleneamino]oxypropyl]isoindoline-1,3-dione dibromide
  • 2-[3-[(E)-[1-[3-[4-[(E)-3-phthalimidopropyloximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methyleneamino]oxypropyl]isoindoline-1,3-quinone dibromide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Muscarinic acetylcholine receptor M2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M2   466 aa 521 aa 24.6 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor M2   466 aa 505 aa 26.7 %
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor M2   466 aa 480 aa 19.2 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 456 aa 20.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor M2   466 aa 500 aa 34.6 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 449 aa 19.4 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 497 aa 23.3 %
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor M2   466 aa 419 aa 21.5 %
Schistosoma mansoni amine GPCR Muscarinic acetylcholine receptor M2   466 aa 460 aa 23.0 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor M2   466 aa 464 aa 26.1 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor M2   466 aa 461 aa 25.8 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M2   466 aa 477 aa 24.9 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor M2   466 aa 521 aa 28.4 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor M2   466 aa 495 aa 24.8 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 464 aa 24.1 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor M2   466 aa 465 aa 20.6 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor M2   466 aa 485 aa 24.1 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Muscarinic acetylcholine receptor M2   466 aa 541 aa 24.2 %
Echinococcus multilocularis g protein coupled receptor Muscarinic acetylcholine receptor M2   466 aa 480 aa 19.6 %
Onchocerca volvulus Muscarinic acetylcholine receptor M2   466 aa 472 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0024 0.013 0.0344
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0517 0.3794 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1353 1 1
Loa Loa (eye worm) cytochrome P450 0.0024 0.013 0.013
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0024 0.013 0.013
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0024 0.013 0.013
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0024 0.013 0.013
Mycobacterium leprae putative cytochrome p450 0.0024 0.013 0.013
Plasmodium vivax multidrug resistance protein 1, putative 0.002 0.0104 0.0274
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.0058 0.0058
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.007 0.0185
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0024 0.013 0.013
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.002 0.0104 0.0104
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0041 0.0256 0.0256
Leishmania major cytochrome p450-like protein 0.0024 0.013 0.0344
Chlamydia trachomatis dihydrofolate reductase 0.1353 1 1
Brugia malayi cytochrome P450 0.0024 0.013 0.013
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.007 0.0185
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0024 0.013 0.013
Entamoeba histolytica P-glyco protein 6, putative 0.002 0.0104 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.002 0.0104 0.0104
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0024 0.013 0.013
Trichomonas vaginalis ABC transporter, putative 0.002 0.0104 1
Brugia malayi multidrug resistance protein 3 0.002 0.0104 0.0104
Schistosoma mansoni smdr2 0.002 0.0104 0.0104
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.002 0.0102 0.0102
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.007 0.007
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0024 0.013 0.013
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.007 0.0185
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0024 0.013 0.013
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0104 1
Echinococcus multilocularis 0.0024 0.013 0.013
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Leishmania major cytochrome p450-like protein 0.0041 0.0256 0.0675
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0024 0.013 0.013
Echinococcus granulosus multidrug resistance protein 1 0.002 0.0104 0.0104
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.002 0.0104 0.0274
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0024 0.013 0.013
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Leishmania major cytochrome p450-like protein 0.0024 0.013 0.0344
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0024 0.013 0.013
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Echinococcus granulosus cytochrome P450 2K1 0.0024 0.013 0.013
Echinococcus granulosus dihydrofolate reductase 0.1353 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0293 0.0293
Echinococcus multilocularis dihydrofolate reductase 0.1353 1 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0024 0.013 0.013
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.013 0.0344
Loa Loa (eye worm) hypothetical protein 0.0017 0.0078 0.0078
Loa Loa (eye worm) cytochrome P450 family protein 0.0079 0.0541 0.0541
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.002 0.0104 0.0274
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0517 0.3794 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.007 0.0185
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.007 0.007
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.002 0.0104 0.0274
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0024 0.013 0.013
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0024 0.013 0.0344
Entamoeba histolytica P-glycoprotein-2 0.002 0.0104 1
Echinococcus multilocularis multidrug resistance protein 1 0.002 0.0104 0.0104
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0024 0.013 0.013
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0024 0.013 0.013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0293 0.0293
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0293 0.0293
Trichomonas vaginalis abcb9, putative 0.002 0.0104 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0024 0.013 0.013
Loa Loa (eye worm) dihydrofolate reductase 0.1353 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.007 0.0185
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0024 0.013 0.013
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0024 0.013 0.013
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0024 0.013 0.013
Trichomonas vaginalis ABC transporter, putative 0.002 0.0104 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0517 0.3794 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.002 0.0104 0.0104
Onchocerca volvulus 0.002 0.0104 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0293 0.0293
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Mycobacterium leprae Conserved hypothetical protein 0.0024 0.013 0.013
Trypanosoma brucei cytochrome P450, putative 0.0041 0.0256 0.0675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.002 0.0102 0.0102
Trypanosoma cruzi cytochrome P450, putative 0.0041 0.0256 0.0675
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.007 0.007
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.007 0.007
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0024 0.013 0.013
Brugia malayi Cytochrome P450 family protein 0.0024 0.013 0.013
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0024 0.013 0.013
Schistosoma mansoni multidrug resistance protein 0.002 0.0104 0.0104
Leishmania major p-glycoprotein 0.002 0.0104 0.0274
Schistosoma mansoni multidrug resistance protein 0.002 0.0104 0.0104
Brugia malayi isocitrate dehydrogenase 0.0016 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.002 0.0104 0.0104
Trichomonas vaginalis abcb9, putative 0.002 0.0104 1
Giardia lamblia MRP-like ABC transporter 0.0006 0 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.002 0.0104 0.0104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0293 0.0293
Giardia lamblia Multidrug resistance-associated protein 1 0.0006 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0041 0.0256 0.0256
Entamoeba histolytica P-glycoprotein 5, putative 0.002 0.0104 1
Trichomonas vaginalis ABC transporter, putative 0.002 0.0104 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0024 0.013 0.013
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.007 0.007
Trichomonas vaginalis ABC transporter, putative 0.002 0.0104 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.002 0.0104 0.0104
Toxoplasma gondii cytochrome p450 superfamily protein 0.0024 0.013 0.0344
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0293 0.0293
Schistosoma mansoni dihydrofolate reductase 0.1353 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.002 0.0104 0.0104
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.002 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.002 0.0104 0.0104
Plasmodium falciparum multidrug resistance protein 1 0.002 0.0104 0.0274
Loa Loa (eye worm) multidrug resistance protein 3 0.002 0.0104 0.0104
Entamoeba histolytica P-glycoprotein-5 0.002 0.0104 1
Echinococcus multilocularis ATP binding cassette sub family B 0.002 0.0102 0.0102
Schistosoma mansoni cytochrome P450 0.0024 0.013 0.013
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.007 0.007
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0024 0.013 0.013
Schistosoma mansoni hypothetical protein 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0024 0.013 0.013
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0024 0.013 0.013
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1353 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0006 0 0.5
Brugia malayi ABC transporter family protein 0.002 0.0104 0.0104
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.0058 0.0058
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0517 0.3794 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0104 1
Trypanosoma cruzi cytochrome P450, putative 0.0041 0.0256 0.0675
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0517 0.3794 1
Trichomonas vaginalis abcb9, putative 0.002 0.0104 1
Entamoeba histolytica P-glycoprotein-2 0.002 0.0104 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0024 0.013 0.013
Giardia lamblia Multidrug resistance-associated protein 1 0.0006 0 0.5
Giardia lamblia ABC transporter, putative 0.0006 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0293 0.0293
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0293 0.0293
Trichomonas vaginalis taga, putative 0.002 0.0104 1
Loa Loa (eye worm) CYP4Cod1 0.0041 0.0256 0.0256
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0014 0.0058 0.5606
Entamoeba histolytica P-glycoprotein-1 0.002 0.0104 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0104 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0006 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.007 0.007
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0104 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0024 0.013 0.0344
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.002 0.0104 0.0104
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.002 0.0104 0.0104
Schistosoma mansoni multidrug resistance protein 0.002 0.0104 0.0104
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.002 0.0104 0.0104
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.002 0.0104 0.0104
Brugia malayi Cytochrome P450 family protein 0.0041 0.0256 0.0256
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0024 0.013 0.013
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.013 0.0344
Echinococcus granulosus multidrug resistance protein 1 0.002 0.0104 0.0104
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0024 0.013 0.013
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0024 0.013 0.013
Echinococcus multilocularis multidrug resistance protein 1 0.002 0.0104 0.0104
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.0256 0.0256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0293 0.0293
Brugia malayi Dihydrofolate reductase 0.1353 1 1
Echinococcus granulosus multidrug resistance protein 1 0.002 0.0104 0.0104
Trichomonas vaginalis ABC transporter, half transporter, putative 0.002 0.0104 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.0256 0.0256
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0517 0.3794 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0024 0.013 0.013
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0024 0.013 0.013
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.007 0.0185
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1353 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.002 0.0104 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0104 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0024 0.013 0.013
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.007 0.0185
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.007 0.0185
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0104 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.002 0.0104 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0024 0.013 0.013
Brugia malayi Cytochrome P450 family protein 0.0079 0.0541 0.0541
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.007 0.0185
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.007 0.007
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.002 0.0104 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.007 0.007
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0024 0.013 0.013
Echinococcus multilocularis multidrug resistance protein 1 0.0014 0.0058 0.0058

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.52 uM Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2 ChEMBL. 10072682
EC50 (binding) = 0.52 uM Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2 ChEMBL. 10072682

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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