Detailed information for compound 1101499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 520.733 | Formula: C29H40N6OS
  • H donors: 2 H acceptors: 3 LogP: 5.09 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCC=C(C1)c1nsnc1OCCCCNCCCCNc1c2CCCCc2nc2c1cccc2
  • InChi: 1S/C29H40N6OS/c1-35-19-10-11-22(21-35)27-29(34-37-33-27)36-20-9-8-17-30-16-6-7-18-31-28-23-12-2-4-14-25(23)32-26-15-5-3-13-24(26)28/h2,4,11-12,14,30H,3,5-10,13,15-21H2,1H3,(H,31,32)
  • InChiKey: MCTLLLGXTWSHKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Cholinesterase Starlite/ChEMBL References
Electrophorus electricus Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative nuclear protein Cholinesterase   574 aa 572 aa 40.9 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 517 aa 25.1 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 576 aa 23.4 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   633 aa 576 aa 28.8 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Cholinesterase   574 aa 554 aa 36.1 %
Onchocerca volvulus Cholinesterase   574 aa 551 aa 29.9 %
Onchocerca volvulus Cholinesterase   574 aa 578 aa 25.3 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 597 aa 25.1 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   633 aa 622 aa 24.9 %
Onchocerca volvulus Galectin homolog Cholinesterase   574 aa 531 aa 39.7 %
Onchocerca volvulus Acetylcholinesterase   633 aa 648 aa 25.3 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Cholinesterase   574 aa 577 aa 36.9 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 620 aa 28.4 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   633 aa 690 aa 31.7 %
Schistosoma mansoni gliotactin Cholinesterase   574 aa 587 aa 27.9 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   633 aa 690 aa 32.3 %
Echinococcus granulosus neuroligin Cholinesterase   574 aa 492 aa 24.4 %
Brugia malayi Carboxylesterase family protein Cholinesterase   574 aa 538 aa 31.4 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   633 aa 549 aa 30.4 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   633 aa 507 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tar DNA binding protein 0.0193 0.2662 0.2637
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2662 0.2637
Trypanosoma cruzi 60S ribosomal protein L19, putative 0.0027 0.011 0.0582
Schistosoma mansoni intermediate filament proteins 0.0054 0.0524 0.0493
Trypanosoma cruzi 60S ribosomal protein L19, putative 0.0027 0.011 0.0582
Trichomonas vaginalis chromobox protein, putative 0.007 0.0776 0.0782
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Echinococcus granulosus transcription factor btf3 0.0142 0.1882 0.1855
Loa Loa (eye worm) hypothetical protein 0.0025 0.0083 0.0081
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0093 0.113 0.2553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.0331 0.0485
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0117 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0331 0.0298
Trypanosoma cruzi 60S ribosomal protein L19, putative 0.0027 0.011 0.0582
Entamoeba histolytica transcription factor BTF3, putative 0.0142 0.1882 0.2079
Plasmodium vivax multidomain scavenger receptor, putative 0.0039 0.0303 0.0837
Schistosoma mansoni chromobox protein 0.007 0.0776 0.0745
Plasmodium vivax endoplasmin, putative 0.0047 0.0417 0.1331
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0176 0.0375
Brugia malayi Transient-receptor-potential like protein 0.0111 0.1395 0.2219
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0719 0.1118
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0331 0.0298
Schistosoma mansoni endoplasmin 0.0047 0.0417 0.0385
Echinococcus granulosus TRP transient receptor potential channel 0.0111 0.1395 0.1366
Trichomonas vaginalis heat shock protein, putative 0.0047 0.0417 0.036
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0041 0.0331 0.0298
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0124 0.0091
Loa Loa (eye worm) hypothetical protein 0.0026 0.0098 0.0105
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0041 0.0327 0.0515
Plasmodium vivax SET domain protein, putative 0.0061 0.0628 0.2247
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.1882 0.2079
Loa Loa (eye worm) hypothetical protein 0.0039 0.0303 0.044
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.062 0.0956
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.062 0.0589
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0331 0.0298
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0417 0.2214
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0331 0.0298
Brugia malayi Carboxylesterase family protein 0.0028 0.0124 0.0148
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.0327 0.1737
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0331 0.0298
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2662 0.2637
Onchocerca volvulus Huntingtin homolog 0.0125 0.1616 0.2151
Echinococcus multilocularis acetylcholinesterase 0.0164 0.2209 0.2183
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Echinococcus granulosus acetylcholinesterase 0.0164 0.2209 0.2183
Echinococcus granulosus short transient receptor potential channel 6 0.0197 0.2714 0.269
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0303 0.0227
Brugia malayi hypothetical protein 0.0039 0.0303 0.0439
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.0331 0.0298
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Leishmania major heat shock protein, putative 0.0031 0.0176 0.0375
Trichomonas vaginalis glutaminase, putative 0.0266 0.378 0.4306
Brugia malayi Carboxylesterase family protein 0.0164 0.2209 0.3546
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0331 0.0298
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.0331 0.0298
Loa Loa (eye worm) carboxylesterase 0.0028 0.0124 0.0148
Brugia malayi Thioredoxin reductase 0.0041 0.0327 0.0479
Brugia malayi Pre-SET motif family protein 0.0422 0.6169 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.0331 0.0298
Echinococcus granulosus chromobox protein 1 0.007 0.0776 0.0745
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0104 0.129 0.2484
Brugia malayi Endoplasmin precursor 0.0047 0.0417 0.0625
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0583 0.8634 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0719 0.3441
Brugia malayi Carboxylesterase family protein 0.0028 0.0124 0.0148
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.0331 0.0298
Brugia malayi jmjC domain containing protein 0.006 0.062 0.0956
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0127 0.002
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0331 0.0485
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Trichomonas vaginalis heat shock protein, putative 0.004 0.0313 0.0239
Trichomonas vaginalis spcc417.12 protein, putative 0.0028 0.0124 0.0017
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0331 0.0298
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0303 0.027
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0176 0.0936
Schistosoma mansoni loxhd1 0.0039 0.0303 0.027
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0373 0.0309
Schistosoma mansoni transient receptor potential channel 0.0297 0.4257 0.4238
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0028 0.0124 0.0017
Echinococcus multilocularis endoplasmin 0.0044 0.0373 0.0341
Brugia malayi chromobox protein homolog 3 0.0039 0.0303 0.044
Schistosoma mansoni hypothetical protein 0.0521 0.7688 0.768
Schistosoma mansoni coup transcription factor 0.0041 0.0331 0.0298
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0303 0.027
Brugia malayi beta-NAC-like protein 0.0142 0.1882 0.3012
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2662 0.2637
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Onchocerca volvulus 0.0031 0.0173 0.007
Brugia malayi Carboxylesterase family protein 0.0164 0.2209 0.3546
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0628 0.0597
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0417 0.2214
Loa Loa (eye worm) hypothetical protein 0.0187 0.2562 0.4122
Schistosoma mansoni microtubule-associated protein tau 0.0672 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0047 0.0417 0.1733
Leishmania major basic transcription factor 3a, putative 0.0142 0.1882 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0047 0.0417 0.2214
Brugia malayi Doublecortin family protein 0.0039 0.0303 0.0439
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0303 0.0227
Brugia malayi Carboxylesterase family protein 0.0028 0.0124 0.0148
Trypanosoma cruzi 60S ribosomal protein L19, putative 0.0027 0.011 0.0582
Echinococcus granulosus ribosomal protein L19 0.0027 0.011 0.0077
Trichomonas vaginalis chromobox protein, putative 0.007 0.0776 0.0782
Plasmodium vivax glutathione reductase, putative 0.0041 0.0327 0.0942
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Loa Loa (eye worm) hypothetical protein 0.0039 0.0303 0.0439
Schistosoma mansoni polycystin 1-related 0.0039 0.0303 0.027
Loa Loa (eye worm) glutaminase 2 0.0266 0.378 0.6106
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.2662 0.4284
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Onchocerca volvulus 0.0072 0.0804 0.098
Echinococcus granulosus heat shock protein 90 0.004 0.0313 0.0281
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0124 0.0091
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0176 0.0288
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0093 0.113 0.2051
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.0331 0.0298
Echinococcus granulosus FTZ F1 alpha 0.0041 0.0331 0.0298
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.0331 0.0485
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.062 0.0589
Schistosoma mansoni transient receptor potential channel 0.0197 0.2714 0.269
Echinococcus multilocularis heat shock protein 90 0.0047 0.0417 0.0385
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0719 0.0689
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0176 0.0075
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0719 0.0715
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0098 0.0065
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0349 0.0281
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Plasmodium falciparum heat shock protein 90, putative 0.0177 0.2416 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0331 0.0298
Schistosoma mansoni rab6-interacting 0.0039 0.0303 0.027
Brugia malayi Hsp90 protein 0.0031 0.0176 0.0233
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0044 0.0373 0.0631
Giardia lamblia Heat shock protein HSP 90-alpha 0.0047 0.0417 0.036
Mycobacterium tuberculosis Probable dehydrogenase 0.0093 0.113 0.2553
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0628 0.0597
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0331 0.0485
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.0313 0.1664
Echinococcus multilocularis RUN 0.0039 0.0303 0.027
Echinococcus multilocularis heat shock protein 90 0.004 0.0313 0.0281
Loa Loa (eye worm) hypothetical protein 0.0164 0.2209 0.3546
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.0331 0.0485
Entamoeba histolytica hypothetical protein 0.0142 0.1882 0.2079
Loa Loa (eye worm) hypothetical protein 0.0111 0.1395 0.2219
Mycobacterium ulcerans heat shock protein 90 0.0044 0.0373 0.0631
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0104 0.129 0.2958
Loa Loa (eye worm) hypothetical protein 0.0039 0.0303 0.0439
Echinococcus granulosus neuroligin 0.0028 0.0124 0.0091
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.2662 0.4284
Brugia malayi jmjC domain containing protein 0.006 0.062 0.0956
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0331 0.0485
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0349 0.0281
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.2209 0.2183
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0124 0.0091
Schistosoma mansoni transient receptor potential channel 0.0197 0.2714 0.269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.0331 0.0485
Schistosoma mansoni hypothetical protein 0.0521 0.7688 0.768
Onchocerca volvulus 0.0054 0.0524 0.0577
Trypanosoma brucei trypanothione reductase 0.0041 0.0327 0.1226
Plasmodium vivax heat shock protein, putative 0.0177 0.2416 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0331 0.0485
Brugia malayi Pre-SET motif family protein 0.0061 0.0628 0.0969
Echinococcus multilocularis chromobox protein 1 0.007 0.0776 0.0745
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Echinococcus multilocularis geminin 0.0521 0.7688 0.768
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0583 0.8634 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0594 0.0563
Entamoeba histolytica heat shock protein 90, putative 0.0047 0.0417 0.036
Echinococcus granulosus short transient receptor potential channel 6 0.0197 0.2714 0.269
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0417 0.2214
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0331 0.0298
Echinococcus granulosus Polycystic kidney disease protein 0.0039 0.0303 0.027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0173 0.0228
Trypanosoma brucei Heat shock protein 83, putative 0.0047 0.0417 0.1733
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0098 0.0065
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Echinococcus multilocularis Polycystic kidney disease protein 0.0039 0.0303 0.027
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0285 0.4064 1
Brugia malayi hypothetical protein 0.0039 0.0303 0.0439
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Echinococcus granulosus lamin dm0 0.0054 0.0524 0.0493
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0303 0.0258
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.062 0.0589
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0331 0.0298
Schistosoma mansoni rab6-interacting 0.0039 0.0303 0.027
Plasmodium falciparum basic transcription factor 3b, putative 0.0142 0.1882 0.7681
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.0331 0.0485
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0124 0.0091
Schistosoma mansoni heat shock protein 0.0047 0.0417 0.0385
Brugia malayi TAR-binding protein 0.0193 0.2662 0.4284
Schistosoma mansoni transient receptor potential channel 4 0.0297 0.4257 0.4238
Brugia malayi heat shock protein 90 0.0047 0.0417 0.0625
Echinococcus granulosus ribosomal protein L19 0.0027 0.011 0.0077
Giardia lamblia Grp94/Hsp90 0.0044 0.0373 0.0309
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0104 0.129 0.2958
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0331 0.0298
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.029 0.0258
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.062 0.0589
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Brugia malayi steroid hormone receptor 0.0041 0.0331 0.0485
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0111 0.1395 0.1366
Toxoplasma gondii NAC domain-containing protein 0.0142 0.1882 0.7681
Echinococcus multilocularis ribosomal protein L19 0.0027 0.011 0.0077
Entamoeba histolytica heat shock protein 90, putative 0.0047 0.0417 0.036
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.0331 0.0485
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.0331 0.0485
Echinococcus multilocularis short transient receptor potential channel 6 0.0197 0.2714 0.269
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0628 0.0597
Plasmodium falciparum endoplasmin, putative 0.0034 0.022 0.0479
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.0331 0.0298
Loa Loa (eye worm) hypothetical protein 0.0125 0.1616 0.258
Schistosoma mansoni glutaminase 0.0266 0.378 0.3759
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0124 0.0091
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.0331 0.0485
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0524 0.08
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0176 0.0143
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.0331 0.0485
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0331 0.0485
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0171 0.2324 0.2298
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0524 0.08
Schistosoma mansoni lamin 0.0054 0.0524 0.0493
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0176 0.0143
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0628 0.0597
Echinococcus granulosus acetylcholinesterase 0.0164 0.2209 0.2183
Loa Loa (eye worm) hypothetical protein 0.0025 0.0083 0.0081
Brugia malayi nuclear receptor NHR-88 0.0041 0.0331 0.0485
Loa Loa (eye worm) doublecortin family protein 0.0039 0.0303 0.0439
Brugia malayi glutathione reductase 0.0041 0.0327 0.0479
Echinococcus granulosus chromobox protein 1 0.007 0.0776 0.0745
Schistosoma mansoni gliotactin 0.0028 0.0124 0.0091
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0285 0.4064 1
Plasmodium falciparum thioredoxin reductase 0.0041 0.0327 0.0942
Brugia malayi hypothetical protein 0.0028 0.0124 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.0331 0.0485
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2662 0.2637
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0124 0.0091
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0124 0.0091
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0044 0.0373 0.5
Schistosoma mansoni transcription factor btf3 0.0142 0.1882 0.1855
Toxoplasma gondii thioredoxin reductase 0.0041 0.0327 0.0942
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0176 0.0078
Onchocerca volvulus Bile acid receptor homolog 0.0041 0.0331 0.0298
Trypanosoma cruzi transcription factor btf3, putative 0.0142 0.1882 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1616 0.258
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0331 0.0485
Echinococcus multilocularis short transient receptor potential channel 6 0.0197 0.2714 0.269
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0176 0.0233
Echinococcus granulosus carboxylesterase 5A 0.0164 0.2209 0.2183
Brugia malayi Carboxylesterase family protein 0.0028 0.0124 0.0148
Toxoplasma gondii Hsp90 domain-containing protein 0.0177 0.2416 1
Echinococcus multilocularis neuroligin 0.0028 0.0124 0.0091
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.2209 0.3546
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Trypanosoma cruzi transcription factor btf3, putative 0.0142 0.1882 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.004 0.0313 0.0239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.0331 0.0485
Loa Loa (eye worm) carboxylesterase 0.0028 0.0124 0.0148
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.062 0.0589
Loa Loa (eye worm) RNA binding protein 0.0193 0.2662 0.4284
Trypanosoma brucei heat shock protein 90, putative 0.0047 0.0417 0.1733
Onchocerca volvulus 0.0039 0.0303 0.0258
Brugia malayi nuclear hormone receptor 0.0041 0.0331 0.0485
Plasmodium falciparum LCCL domain-containing protein 0.0039 0.0303 0.0837
Loa Loa (eye worm) TAR-binding protein 0.0193 0.2662 0.4284
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0072 0.0804 0.0773
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Echinococcus granulosus transcription factor Dp 1 0.0039 0.029 0.0258
Echinococcus granulosus lamin 0.0054 0.0524 0.0493
Echinococcus granulosus transient receptor potential gamma protein 0.0297 0.4257 0.4238
Leishmania major trypanothione reductase 0.0041 0.0327 0.1226
Echinococcus granulosus RUN 0.0039 0.0303 0.027
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0124 0.0091
Schistosoma mansoni heat shock protein 0.0047 0.0417 0.0385
Onchocerca volvulus 0.0054 0.0524 0.0577
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Trypanosoma brucei transcription factor BTF3, putative 0.0142 0.1882 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0041 0.0331 0.0298
Schistosoma mansoni heat shock protein 0.0031 0.0176 0.0143
Loa Loa (eye worm) hypothetical protein 0.0061 0.0628 0.0969
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0176 0.0288
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0044 0.0373 0.1484
Echinococcus granulosus geminin 0.0521 0.7688 0.768
Brugia malayi hypothetical protein 0.0125 0.1616 0.258
Echinococcus granulosus heat shock protein 90 0.0047 0.0417 0.0385
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0719 0.0689
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.0313 0.1664
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.0417 0.2214
Brugia malayi RNA binding protein 0.0193 0.2662 0.4284
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0628 0.2247
Echinococcus granulosus intermediate filament protein 0.0054 0.0524 0.0493
Onchocerca volvulus 0.0041 0.0331 0.0298
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.0331 0.0298
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2662 0.2637
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0422 0.6169 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Schistosoma mansoni 60S ribosomal protein L19 0.0027 0.011 0.0077
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0142 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0331 0.0298
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0349 0.0324
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Echinococcus multilocularis microtubule associated protein 2 0.0672 1 1
Toxoplasma gondii heat shock protein 90, putative 0.0047 0.0417 0.1331
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0093 0.113 0.2553
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0124 0.0091
Trichomonas vaginalis heat shock protein, putative 0.0034 0.022 0.013
Trichomonas vaginalis set domain proteins, putative 0.048 0.7063 0.8157
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.0331 0.0298
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.0331 0.0485
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.129 0.2958
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.0331 0.0298
Toxoplasma gondii heat shock protein HSP90 0.0047 0.0417 0.1331
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.0327 0.0479
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0719 0.0689
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0628 0.0597
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0331 0.0485
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.0331 0.0485
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0373 0.0309
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.0331 0.0485
Schistosoma mansoni hypothetical protein 0.0039 0.0303 0.027
Brugia malayi Heterochromatin protein 1 0.007 0.0776 0.121
Loa Loa (eye worm) hypothetical protein 0.0101 0.1243 0.1972
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0719 0.3823
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0285 0.4064 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.011 0.0125
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.0331 0.0485
Loa Loa (eye worm) heat shock protein 90 0.0047 0.0417 0.0625
Onchocerca volvulus 0.048 0.7063 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0719 0.3823
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0335 0.0303
Schistosoma mansoni lipoxygenase 0.0171 0.2324 0.2298
Trichomonas vaginalis endoplasmin, putative 0.0034 0.022 0.013
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0127 0.002
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.2209 0.2183
Mycobacterium tuberculosis Probable reductase 0.0093 0.113 0.2553
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.0331 0.0485
Echinococcus multilocularis lamin dm0 0.0054 0.0524 0.0493
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0331 0.0298
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0093 0.113 0.2553
Mycobacterium ulcerans glutaminase 0.0266 0.378 0.9279
Schistosoma mansoni lamin 0.0054 0.0524 0.0493
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.0331 0.0298
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Plasmodium falciparum glutathione reductase 0.0041 0.0327 0.0942
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0142 0.0177
Loa Loa (eye worm) hypothetical protein 0.0297 0.4257 0.6884
Echinococcus multilocularis heat shock protein 0.0047 0.0417 0.0385
Loa Loa (eye worm) glutathione reductase 0.0041 0.0327 0.0479
Schistosoma mansoni acetylcholinesterase 0.0028 0.0124 0.0091
Echinococcus multilocularis transcription factor btf3 0.0142 0.1882 0.1855
Loa Loa (eye worm) hypothetical protein 0.0053 0.0509 0.0776
Echinococcus multilocularis acetylcholinesterase 0.0164 0.2209 0.2183
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0303 0.027
Echinococcus multilocularis lamin 0.0054 0.0524 0.0493
Schistosoma mansoni thyroid hormone receptor 0.0041 0.0331 0.0298
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0719 0.3441
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1
Brugia malayi intermediate filament protein 0.0054 0.0524 0.08
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Plasmodium falciparum heat shock protein 90 0.0047 0.0417 0.1331
Brugia malayi ecdysteroid receptor 0.0041 0.0331 0.0485
Loa Loa (eye worm) hypothetical protein 0.0054 0.0524 0.08
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.0331 0.0298
Echinococcus multilocularis chromobox protein 1 0.007 0.0776 0.0745
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.0331 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.1882 0.2079
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0171 0.2324 0.2298
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.1882 0.2079
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0303 0.027
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.0327 0.0942
Echinococcus multilocularis transient receptor potential ion channel A 0.0287 0.4105 0.4086
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0719 0.1118
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0776 0.121
Brugia malayi glutaminase DH11.1 0.0266 0.378 0.6106
Loa Loa (eye worm) glutaminase 0.0266 0.378 0.6106
Schistosoma mansoni chromobox protein 0.007 0.0776 0.0745
Schistosoma mansoni endoplasmin 0.0047 0.0417 0.0385
Schistosoma mansoni lipoxygenase 0.01 0.1239 0.121
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0124 0.0091
Echinococcus granulosus endoplasmin 0.0044 0.0373 0.0341
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.0313 0.0281
Plasmodium vivax basic transcription factor 3b, putative 0.0142 0.1882 0.7681
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0335 0.0303
Onchocerca volvulus 0.0039 0.0303 0.0258
Schistosoma mansoni jumonji domain containing protein 0.006 0.062 0.0589
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0524 0.08
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0485
Onchocerca volvulus Huntingtin homolog 0.0125 0.1616 0.2151
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0093 0.113 0.2553
Loa Loa (eye worm) ICD-1 protein 0.0142 0.1882 0.3012
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0331 0.0298
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0117 0.0008
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.0331 0.0298
Echinococcus multilocularis ribosomal protein L19 0.0027 0.011 0.0077
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.0331 0.0485
Treponema pallidum fructose-bisphosphate aldolase 0.0583 0.8634 1
Leishmania major heat shock protein 83-1 0.0047 0.0417 0.1733
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0148
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.0331 0.0298
Loa Loa (eye worm) hypothetical protein 0.0164 0.2209 0.3546
Giardia lamblia Fructose-bisphosphate aldolase 0.0583 0.8634 1
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0628 0.0597
Plasmodium vivax heat shock protein 86, putative 0.0047 0.0417 0.1331
Echinococcus multilocularis tar DNA binding protein 0.0193 0.2662 0.2637
Echinococcus granulosus heat shock protein 0.0047 0.0417 0.0385
Trypanosoma brucei heat shock protein, putative 0.0047 0.0417 0.1733
Echinococcus multilocularis transient receptor potential gamma protein 0.0297 0.4257 0.4238
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.062 0.0589
Brugia malayi 60S ribosomal protein L19 0.0027 0.011 0.0125
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0124 0.0091
Echinococcus multilocularis musashi 0.0054 0.0524 0.0493
Loa Loa (eye worm) endoplasmin 0.0047 0.0417 0.0625
Loa Loa (eye worm) carboxylesterase 0.0164 0.2209 0.3546
Echinococcus granulosus transient receptor potential ion channel A 0.0287 0.4105 0.4086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0583 0.8634 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.36 Inhibition of electric eel AChE by Ellman's method ChEMBL. 20158205
IC50 (binding) = 7.79 Inhibition of BChE from equine serum by Ellman's method ChEMBL. 20158205
logKd (binding) = 7.49 Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells in ternary complex by EATCM analysis ChEMBL. 20158205
logKd (binding) = 8.13 Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells in binary complex by EATCM analysis ChEMBL. 20158205

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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