Detailed information for compound 443384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 612.667 | Formula: C32H40N2O10
  • H donors: 0 H acceptors: 3 LogP: 5.74 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)COc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(N1C(=O)OCC(C)C)C(=O)OCC(C)C
  • InChi: 1S/C32H40N2O10/c1-19(2)16-43-30(36)33-24-13-14-32(41-8,34(33)31(37)44-17-20(3)4)29(35)26-23(24)15-25(39-6)27(40-7)28(26)42-18-21-9-11-22(38-5)12-10-21/h9-15,19-20,24H,16-18H2,1-8H3/t24-,32-/m1/s1
  • InChiKey: CYZYASCCNNIWLK-GPNASLBKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) animal heme peroxidase 0.0332196 0.36702 0.746336
Echinococcus multilocularis Tubulin alpha 1 chain 0.0308585 0.339544 0.692089
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.00648451 0.0559054 0.111825
Echinococcus granulosus protein jagged 1 0.0109984 0.108434 0.108434
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Trypanosoma cruzi zeta tubulin, putative 0.0199775 0.212922 0.432639
Brugia malayi bHLH-PAS transcription factor 0.00458044 0.0337479 0.0622925
Mycobacterium ulcerans cell division protein FtsZ 0.0102158 0.0993265 1
Echinococcus multilocularis hypothetical protein 0.0308585 0.339544 0.692089
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Brugia malayi tubulin alpha chain - mouse 0.0308585 0.339544 0.689941
Loa Loa (eye worm) hypothetical protein 0.0206427 0.220663 0.445937
Trypanosoma cruzi tubulin delta chain 0.016078 0.167544 0.339924
Loa Loa (eye worm) macrophage migration inhibitory factor 0.00648451 0.0559054 0.107771
Onchocerca volvulus 0.0332196 0.36702 1
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Plasmodium vivax tubulin alpha chain, putative 0.0308585 0.339544 0.69135
Leishmania major delta tubulin, putative 0.016078 0.167544 0.256817
Brugia malayi Animal haem peroxidase family protein 0.0332196 0.36702 0.746336
Echinococcus multilocularis slit 2 protein 0.0109984 0.108434 0.221019
Onchocerca volvulus 0.0109984 0.108434 0.283471
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.00678239 0.0593719 0.0593719
Echinococcus granulosus tubulin alpha chain 0.0308585 0.339544 0.339544
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Echinococcus multilocularis tubulin epsilon chain 0.0240483 0.260294 0.530555
Trypanosoma brucei epsilon tubulin 0.023096 0.249212 0.329971
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0109984 0.108434 0.215586
Brugia malayi Tubulin alpha-2 chain 0.0308585 0.339544 0.689941
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Toxoplasma gondii alpha tubulin TUBA1 0.0308585 0.339544 0.69135
Trypanosoma brucei alpha tubulin 0.0308585 0.339544 0.580701
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypoxia-induced factor 1 0.0191546 0.203346 0.410394
Onchocerca volvulus 0.0109984 0.108434 0.283471
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Trypanosoma brucei beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Echinococcus granulosus peroxidasin 0.0332196 0.36702 0.36702
Loa Loa (eye worm) hypothetical protein 0.0308585 0.339544 0.689941
Leishmania major zeta tubulin, putative 0.0199775 0.212922 0.361206
Trichomonas vaginalis tubulin beta chain, putative 0.0308585 0.339544 0.69135
Schistosoma mansoni aryl hydrocarbon receptor 0.00618883 0.0524647 0.100709
Leishmania major beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) animal heme peroxidase 0.0332196 0.36702 0.746336
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.00403372 0.0273859 0.0558203
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Onchocerca volvulus 0.0109984 0.108434 0.283471
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.023096 0.249212 0.506785
Loa Loa (eye worm) notch protein 0.0109984 0.108434 0.215586
Echinococcus multilocularis tubulin subunit TubB 0.0308585 0.339544 0.692089
Echinococcus granulosus tubulin delta chain 0.0102158 0.0993265 0.0993265
Loa Loa (eye worm) WD domain-containing protein 0.00804927 0.0741145 0.145145
Onchocerca volvulus Neurogenic locus notch homolog 0.0109984 0.108434 0.283471
Brugia malayi Delta serrate ligand family protein 0.0109984 0.108434 0.215586
Schistosoma mansoni tubulin subunit alpha 0.0308585 0.339544 0.689941
Leishmania major beta tubulin 0.0438399 0.490607 1
Brugia malayi Animal haem peroxidase family protein 0.0332196 0.36702 0.746336
Echinococcus multilocularis tubulin subunit beta 0.0438399 0.490607 1
Echinococcus granulosus tubulin alpha chain 0.0308585 0.339544 0.339544
Plasmodium falciparum tubulin epsilon chain, putative 0.0240483 0.260294 0.529429
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Echinococcus multilocularis tubulin alpha 1C chain 0.0308585 0.339544 0.692089
Echinococcus multilocularis Tubulin beta 2C chain 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Trichomonas vaginalis tubulin alpha chain, putative 0.0128801 0.130331 0.26389
Onchocerca volvulus 0.00458044 0.0337479 0.0765206
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Trichomonas vaginalis tubulin beta chain, putative 0.0128801 0.130331 0.26389
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0102158 0.0993265 0.200542
Loa Loa (eye worm) tubulin beta chain 0.0438399 0.490607 1
Loa Loa (eye worm) BEN-1 protein 0.0438399 0.490607 1
Giardia lamblia Beta tubulin 0.0438399 0.490607 1
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Brugia malayi Muscle positioning protein 4 0.0109984 0.108434 0.215586
Echinococcus granulosus tubulin beta 4A class IVa 0.0438399 0.490607 0.490607
Brugia malayi Calcium binding EGF domain containing protein 0.0109984 0.108434 0.215586
Brugia malayi Tubulin beta-1 chain 0.0438399 0.490607 1
Echinococcus granulosus histone lysine N methyltransferase Ez 0.00795603 0.0730294 0.0730294
Trypanosoma brucei alpha tubulin 0.0308585 0.339544 0.580701
Trichomonas vaginalis tubulin beta chain, putative 0.0308585 0.339544 0.69135
Schistosoma mansoni tubulin subunit delta 0.0102158 0.0993265 0.196893
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Echinococcus multilocularis neurogenic locus notch protein 4 0.0109984 0.108434 0.221019
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Chlamydia trachomatis exodeoxyribonuclease V subunit beta 0.00178129 0.00117449 0.5
Loa Loa (eye worm) tubulin alpha 2 0.00776254 0.0707778 0.138297
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Loa Loa (eye worm) tubulin alpha chain 0.0308585 0.339544 0.689941
Trichomonas vaginalis conserved hypothetical protein 0.00648451 0.0559054 0.111825
Schistosoma mansoni septate junction protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Giardia lamblia Alpha-tubulin 0.0308585 0.339544 0.652489
Echinococcus multilocularis neurogenic locus protein delta 0.0109984 0.108434 0.221019
Chlamydia trachomatis DNA helicase 0.00178129 0.00117449 0.5
Giardia lamblia Beta tubulin 0.0438399 0.490607 1
Brugia malayi Animal haem peroxidase family protein 0.0332196 0.36702 0.746336
Trichomonas vaginalis tubulin epsilon chain, putative 0.0438399 0.490607 1
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Onchocerca volvulus 0.00657301 0.0569353 0.140772
Brugia malayi Cell division protein ftsZ 0.0102158 0.0993265 0.196893
Echinococcus multilocularis protein jagged 2 0.0109984 0.108434 0.221019
Trichomonas vaginalis conserved hypothetical protein 0.0102158 0.0993265 0.200542
Brugia malayi Cadherin domain containing protein 0.0109984 0.108434 0.215586
Echinococcus multilocularis tubulin alpha 3 chain 0.0308585 0.339544 0.692089
Trichomonas vaginalis tubulin gamma chain, putative 0.0102158 0.0993265 0.200542
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Schistosoma mansoni organic anion transporter 0.00220736 0.00613257 0.00561187
Echinococcus granulosus alpha tubulin 0.0308585 0.339544 0.339544
Leishmania major beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) Notch2 0.0109984 0.108434 0.215586
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0206427 0.220663 0.445937
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Schistosoma mansoni hypothetical protein 0.0274462 0.299835 0.608439
Schistosoma mansoni tyrosine kinase 0.00671083 0.0585392 0.113177
Trypanosoma cruzi beta tubulin, putative 0.0438399 0.490607 1
Loa Loa (eye worm) animal heme peroxidase 0.0332196 0.36702 0.746336
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.00561471 0.0457836 0.086996
Echinococcus granulosus neurogenic locus notch protein 4 0.0109984 0.108434 0.108434
Plasmodium falciparum alpha tubulin 1 0.0308585 0.339544 0.69135
Echinococcus granulosus Tubulin alpha 1 chain 0.0308585 0.339544 0.339544
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0135733 0.138397 0.277086
Echinococcus granulosus polycomb protein EED 0.00804927 0.0741145 0.0741145
Loa Loa (eye worm) hypothetical protein 0.0161976 0.168935 0.339766
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0308585 0.339544 0.69135
Plasmodium vivax apical sushi protein, putative 0.00519912 0.0409475 0.0812636
Trichomonas vaginalis tubulin epsilon chain, putative 0.0102158 0.0993265 0.200542
Trichomonas vaginalis tubulin gamma chain, putative 0.0240483 0.260294 0.529429
Echinococcus multilocularis peroxisome assembly protein 26 0.0308585 0.339544 0.692089
Echinococcus multilocularis tubulin alpha 1C chain 0.0308585 0.339544 0.692089
Schistosoma mansoni laminin gamma-3 chain 0.0109984 0.108434 0.215586
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Loa Loa (eye worm) hypothetical protein 0.00657301 0.0569353 0.109885
Toxoplasma gondii beta-1 tubulin, putative 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Schistosoma mansoni tubulin subunit beta 0.0438399 0.490607 1
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Giardia lamblia Delta tubulin 0.0102158 0.0993265 0.099887
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Trichomonas vaginalis tubulin beta chain, putative 0.0308585 0.339544 0.69135
Echinococcus granulosus tubulin alpha 1C chain 0.0308585 0.339544 0.339544
Echinococcus granulosus slit 2 protein 0.0109984 0.108434 0.108434
Brugia malayi GCC2 and GCC3 family protein 0.0161976 0.168935 0.339766
Schistosoma mansoni slit 0.0109984 0.108434 0.215586
Echinococcus multilocularis polycomb protein suz12 A 0.0274462 0.299835 0.611152
Echinococcus granulosus C type lectin domian containing protein 0.00519912 0.0409475 0.0409475
Echinococcus multilocularis beta tubulin 0.0438399 0.490607 1
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Echinococcus multilocularis Tubulin alpha 1 chain 0.0308585 0.339544 0.692089
Leishmania major beta tubulin 0.0438399 0.490607 1
Echinococcus multilocularis c4b binding protein beta chain 0.00519912 0.0409475 0.083463
Echinococcus granulosus polycomb protein suz12 A 0.0274462 0.299835 0.299835
Onchocerca volvulus Putative cubilin 0.0109984 0.108434 0.283471
Onchocerca volvulus Peroxidase homolog 0.0332196 0.36702 1
Onchocerca volvulus 0.0332196 0.36702 1
Loa Loa (eye worm) beta-tubulin 0.0438399 0.490607 1
Echinococcus multilocularis protein jagged 1 0.0109984 0.108434 0.221019
Echinococcus granulosus Tubulin beta 2C chain 0.0438399 0.490607 0.490607
Brugia malayi Blistered cuticle protein 3 0.0332196 0.36702 0.746336
Brugia malayi Tubulin beta chain 0.0102158 0.0993265 0.196893
Trypanosoma brucei zeta tubulin, putative 0.0199775 0.212922 0.229244
Trichomonas vaginalis tubulin alpha chain, putative 0.0438399 0.490607 1
Brugia malayi prostaglandin transporter 0.00220736 0.00613257 0.00561187
Schistosoma mansoni cell polarity protein 0.0109984 0.108434 0.215586
Plasmodium vivax macrophage migration inhibitory factor, putative 0.00648451 0.0559054 0.111825
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Echinococcus granulosus epidermal growth factor receptor 0.0126233 0.127342 0.127342
Trichomonas vaginalis tubulin gamma chain, putative 0.0438399 0.490607 1
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) tubulin alpha-2 chain 0.0308585 0.339544 0.689941
Echinococcus granulosus protein jagged 2 0.0109984 0.108434 0.108434
Schistosoma mansoni tyrosine kinase 0.00678239 0.0593719 0.114886
Schistosoma mansoni tubulin subunit beta 0.0438399 0.490607 1
Brugia malayi PAS domain containing protein 0.00618883 0.0524647 0.100709
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Plasmodium falciparum macrophage migration inhibitory factor 0.00648451 0.0559054 0.111825
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Echinococcus granulosus metabotropic glutamate receptor 5 0.0019724 0.00339842 0.00339842
Echinococcus granulosus tubulin subunit beta 0.0438399 0.490607 0.490607
Trypanosoma cruzi epsilon tubulin, putative 0.0240483 0.260294 0.529429
Schistosoma mansoni tyrosine kinase 0.00403372 0.0273859 0.0492344
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Echinococcus granulosus beta tubulin 0.0438399 0.490607 0.490607
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Plasmodium vivax tubulin epsilon chain, putative 0.0240483 0.260294 0.529429
Brugia malayi tubulin alpha-2 chain 0.0308585 0.339544 0.689941
Brugia malayi pregnancy-associated plasma protein-A 0.00519912 0.0409475 0.0770699
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Toxoplasma gondii EGF family domain-containing protein 0.0109984 0.108434 0.21915
Echinococcus granulosus Tubulin beta 2C chain 0.0438399 0.490607 0.490607
Schistosoma mansoni embryonic ectoderm development protein 0.00804927 0.0741145 0.145145
Echinococcus granulosus neural cadherin 0.0109984 0.108434 0.108434
Trichomonas vaginalis tubulin beta chain, putative 0.0308585 0.339544 0.69135
Trypanosoma brucei tubulin gamma chain 0.024064 0.260476 0.361238
Plasmodium falciparum apical sushi protein 0.00519912 0.0409475 0.0812636
Echinococcus multilocularis epidermal growth factor receptor 0.00678239 0.0593719 0.121017
Echinococcus granulosus c4b binding protein beta chain 0.00519912 0.0409475 0.0409475
Loa Loa (eye worm) alpha-tubulin 0.0308585 0.339544 0.689941
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Echinococcus granulosus tubulin alpha 3 chain 0.0308585 0.339544 0.339544
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.016078 0.167544 0.339924
Schistosoma mansoni tubulin subunit epsilon 0.0240483 0.260294 0.527281
Echinococcus granulosus neurogenic locus protein delta 0.0109984 0.108434 0.108434
Leishmania major beta tubulin 0.0438399 0.490607 1
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Trypanosoma cruzi tubulin gamma chain 0.024064 0.260476 0.529801
Toxoplasma gondii alpha-tubulin I, putative 0.0308585 0.339544 0.69135
Echinococcus multilocularis 0.00390719 0.0259134 0.0528191
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0128801 0.130331 0.26389
Toxoplasma gondii rhoptry neck protein RON1 0.00519912 0.0409475 0.0812636
Schistosoma mansoni single-minded 0.00618883 0.0524647 0.100709
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Mycobacterium tuberculosis Cell division protein FtsZ 0.0102158 0.0993265 1
Leishmania major beta tubulin 0.0438399 0.490607 1
Trichomonas vaginalis tubulin, putative 0.0128801 0.130331 0.26389
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Trichomonas vaginalis tubulin epsilon chain, putative 0.0438399 0.490607 1
Brugia malayi Cadherin domain containing protein 0.0109984 0.108434 0.215586
Trypanosoma brucei beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Trypanosoma brucei tubulin delta chain 0.016078 0.167544 0.103291
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Echinococcus multilocularis tubulin beta 1 chain 0.0438399 0.490607 1
Echinococcus granulosus tubulin alpha chain 0.0308585 0.339544 0.339544
Schistosoma mansoni alpha tubulin 0.0308585 0.339544 0.689941
Echinococcus granulosus Tubulin alpha 1 chain 0.0308585 0.339544 0.339544
Brugia malayi WD domain containing protein 0.00804927 0.0741145 0.145145
Brugia malayi hypothetical protein 0.00220736 0.00613257 0.00561187
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Leishmania major beta tubulin 0.0438399 0.490607 1
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Echinococcus multilocularis fat cadherin tumor suppressor 0.0109984 0.108434 0.221019
Echinococcus multilocularis Tubulin beta 2C chain 0.0438399 0.490607 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0111682 0.110409 0.223186
Leishmania major beta tubulin 0.0438399 0.490607 1
Brugia malayi beta-tubulin, identical 0.0438399 0.490607 1
Loa Loa (eye worm) tubulin alpha 2 0.0206427 0.220663 0.445937
Onchocerca volvulus 0.0128801 0.130331 0.344147
Echinococcus granulosus tubulin alpha chain 0.0308585 0.339544 0.339544
Echinococcus granulosus Tubulin beta 2C chain 0.0438399 0.490607 0.490607
Brugia malayi hypothetical protein 0.00220736 0.00613257 0.00561187
Trypanosoma cruzi zeta tubulin, putative 0.0199775 0.212922 0.432639
Leishmania major gamma-tubulin 0.024064 0.260476 0.4706
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0019724 0.00339842 0.00692697
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.00220736 0.00613257 0.0125
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Echinococcus multilocularis neurogenic locus notch protein 0.0109984 0.108434 0.221019
Trichomonas vaginalis tubulin epsilon chain, putative 0.0308585 0.339544 0.69135
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) tubulin beta-2A chain 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Echinococcus granulosus neurogenic locus notch protein 0.0109984 0.108434 0.108434
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Schistosoma mansoni alpha tubulin 0.0308585 0.339544 0.689941
Echinococcus granulosus tubulin alpha chain 0.0308585 0.339544 0.339544
Brugia malayi Bm-MIF-1, identical 0.00648451 0.0559054 0.107771
Onchocerca volvulus Chorion peroxidase homolog 0.0332196 0.36702 1
Onchocerca volvulus 0.0109984 0.108434 0.283471
Loa Loa (eye worm) sodium-independent organic anion transporter 0.00220736 0.00613257 0.00561187
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Echinococcus granulosus tubulin beta 1 chain 0.0438399 0.490607 0.490607
Schistosoma mansoni tubulin subunit alpha 0.0308585 0.339544 0.689941
Trypanosoma brucei beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0179784 0.189659 0.382301
Brugia malayi hypothetical protein 0.0332196 0.36702 0.746336
Brugia malayi Animal haem peroxidase family protein 0.0332196 0.36702 0.746336
Leishmania major beta tubulin 0.0438399 0.490607 1
Onchocerca volvulus Peroxidasin homolog 0.0332196 0.36702 1
Echinococcus granulosus fibropellin Ia 0.0109984 0.108434 0.108434
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0142968 0.146817 0.294367
Plasmodium falciparum tubulin beta chain 0.0438399 0.490607 1
Trichomonas vaginalis tubulin, putative 0.0438399 0.490607 1
Echinococcus multilocularis insulin receptor 0.00403372 0.0273859 0.0558203
Entamoeba histolytica tubulin alpha chain, putative 0.0308585 0.339544 0.652489
Echinococcus granulosus epidermal growth factor receptor 0.00678239 0.0593719 0.0593719
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) tubulin gamma chain 0.024064 0.260476 0.527654
Echinococcus granulosus notch 0.0109984 0.108434 0.108434
Brugia malayi Tubulin alpha-2 chain 0.0308585 0.339544 0.689941
Echinococcus multilocularis neurogenic locus notch protein 0.0109984 0.108434 0.221019
Echinococcus multilocularis tubulin alpha chain 0.0308585 0.339544 0.692089
Trypanosoma brucei epsilon tubulin 0.0240483 0.260294 0.360733
Leishmania major beta tubulin 0.0438399 0.490607 1
Schistosoma mansoni tubulin subunit beta 0.0438399 0.490607 1
Echinococcus granulosus neurogenic locus notch protein 0.0109984 0.108434 0.108434
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Trypanosoma brucei epsilon tubulin 0.0240483 0.260294 0.360733
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Schistosoma mansoni tyrosine kinase 0.00678239 0.0593719 0.114886
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.00727096 0.0650573 0.126555
Leishmania major beta tubulin 0.0438399 0.490607 1
Giardia lamblia Alpha-tubulin 0.0308585 0.339544 0.652489
Schistosoma mansoni tyrosine kinase 0.00671083 0.0585392 0.113177
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0286376 0.3137 0.636896
Echinococcus granulosus insulin receptor 0.00403372 0.0273859 0.0273859
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0109984 0.108434 0.215586
Leishmania major beta tubulin 0.0438399 0.490607 1
Leishmania major beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Schistosoma mansoni organic anion transporter 0.00220736 0.00613257 0.00561187
Loa Loa (eye worm) tubulin alpha-3 chain 0.0179784 0.189659 0.382301
Loa Loa (eye worm) TK/EGFR protein kinase 0.0126233 0.127342 0.254396
Echinococcus granulosus beta tubulin 0.0438399 0.490607 0.490607
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Leishmania major beta tubulin 0.0438399 0.490607 1
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.00519912 0.0409475 0.0770699
Schistosoma mansoni c4b-binding protein beta chain 0.00519912 0.0409475 0.0770699
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.00795603 0.0730294 0.148855
Mycobacterium leprae cell division protein FtsZ 0.0102158 0.0993265 1
Echinococcus granulosus protein jagged 1 0.0109984 0.108434 0.108434
Treponema pallidum cell division protein FtsZ 0.0102158 0.0993265 1
Echinococcus multilocularis C type lectin domian containing protein 0.00519912 0.0409475 0.083463
Schistosoma mansoni tubulin subunit alpha 0.0102158 0.0993265 0.196893
Schistosoma mansoni notch 0.0109984 0.108434 0.215586
Loa Loa (eye worm) blistered cuticle protein 3 0.0332196 0.36702 0.746336
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0286376 0.3137 0.636896
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.00233811 0.00765412 0.00873486
Leishmania major beta tubulin 0.0438399 0.490607 1
Schistosoma mansoni tubulin subunit gamma 0.024064 0.260476 0.527654
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.00233811 0.00765412 0.00873486
Echinococcus granulosus Tubulin beta 2C chain 0.0438399 0.490607 0.490607
Schistosoma mansoni tyrosine kinase 0.00671083 0.0585392 0.113177
Toxoplasma gondii beta tubulin 0.0438399 0.490607 1
Brugia malayi hypothetical protein 0.00657301 0.0569353 0.109885
Trypanosoma brucei beta tubulin 0.0438399 0.490607 1
Echinococcus granulosus delta-like protein 1 0.0109984 0.108434 0.108434
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Trypanosoma cruzi MFS transporter, putative 0.00220736 0.00613257 0.0101303
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Schistosoma mansoni peroxidasin 0.0332196 0.36702 0.746336
Echinococcus multilocularis peroxidasin 0.0332196 0.36702 0.748093
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Echinococcus multilocularis Tubulin alpha 1 chain 0.0308585 0.339544 0.692089
Schistosoma mansoni tyrosine kinase 0.0126233 0.127342 0.254396
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0286376 0.3137 0.639411
Loa Loa (eye worm) BEN-1 protein 0.0438399 0.490607 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0438399 0.490607 1
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Giardia lamblia Beta tubulin 0.0438399 0.490607 1
Giardia lamblia Epsilon tubulin 0.0111682 0.110409 0.125382
Brugia malayi Furin-like cysteine rich region family protein 0.0126233 0.127342 0.254396
Echinococcus multilocularis tubulin delta chain 0.0102158 0.0993265 0.202456
Trichomonas vaginalis tubulin alpha chain, putative 0.0128801 0.130331 0.26389
Trichomonas vaginalis tubulin, putative 0.0111838 0.110591 0.223558
Giardia lamblia High cysteine protein 0.0109984 0.108434 0.120837
Schistosoma mansoni tubulin subunit beta 0.0438399 0.490607 1
Trichomonas vaginalis tubulin beta chain, putative 0.0438399 0.490607 1
Leishmania major epsilon tubulin, putative 0.0240483 0.260294 0.470182
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Plasmodium falciparum tubulin delta chain, putative 0.0102158 0.0993265 0.200542
Brugia malayi Tubulin gamma chain 0.024064 0.260476 0.527654
Schistosoma mansoni notch 0.0109984 0.108434 0.215586
Echinococcus multilocularis fibropellin Ia 0.0109984 0.108434 0.221019
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0286376 0.3137 0.3137
Trypanosoma cruzi epsilon tubulin, putative 0.0240483 0.260294 0.529429
Loa Loa (eye worm) SET domain-containing protein 0.00795603 0.0730294 0.142918
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.00648451 0.0559054 0.111825
Schistosoma mansoni peroxidasin 0.0332196 0.36702 0.746336
Mycobacterium ulcerans putative regulatory protein 0.00458044 0.0337479 0.331867
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Brugia malayi sodium-independent organic anion transporter family protein 0.00220736 0.00613257 0.00561187
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Echinococcus granulosus organic anion transporting polypeptide 30B 0.00220736 0.00613257 0.00613257
Echinococcus multilocularis Tubulin beta 2C chain 0.0438399 0.490607 1
Echinococcus granulosus tubulin alpha 3 chain 0.0308585 0.339544 0.339544
Onchocerca volvulus Slit protein homolog 0.0109984 0.108434 0.283471
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0109984 0.108434 0.283471
Trichomonas vaginalis tubulin, putative 0.0128801 0.130331 0.26389
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Trichomonas vaginalis tubulin alpha chain, putative 0.0128801 0.130331 0.26389
Loa Loa (eye worm) tubulin beta-4 chain 0.0438399 0.490607 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Echinococcus multilocularis tubulin gamma 1 chain 0.024064 0.260476 0.530926
Schistosoma mansoni notch 0.0109984 0.108434 0.215586
Toxoplasma gondii transporter, major facilitator family protein 0.00220736 0.00613257 0.0101303
Onchocerca volvulus Peroxidase homolog 0.0332196 0.36702 1
Echinococcus multilocularis neural cadherin 0.0109984 0.108434 0.221019
Entamoeba histolytica tubulin alpha-1 chain 0.0308585 0.339544 0.652489
Brugia malayi Tubulin beta chain 0.0128801 0.130331 0.26053
Echinococcus multilocularis protein jagged 1 0.0109984 0.108434 0.221019
Brugia malayi hypothetical protein 0.020763 0.222063 0.44881
Trichomonas vaginalis tubulin beta chain, putative 0.0308585 0.339544 0.69135
Plasmodium falciparum tubulin gamma chain 0.024064 0.260476 0.529801
Schistosoma mansoni notch 0.0109984 0.108434 0.215586
Brugia malayi Protein kinase domain containing protein 0.00403372 0.0273859 0.0492344
Brugia malayi hypothetical protein 0.00519912 0.0409475 0.0770699
Brugia malayi sodium-independent organic anion transporter family protein 0.00220736 0.00613257 0.00561187
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Echinococcus multilocularis notch 0.0109984 0.108434 0.221019
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0286376 0.3137 0.636896
Loa Loa (eye worm) tubulin alpha chain 0.0308585 0.339544 0.689941
Schistosoma mansoni tubulin subunit beta 0.0102158 0.0993265 0.196893
Trypanosoma brucei beta tubulin 0.023096 0.249212 0.329971
Echinococcus granulosus tubulin epsilon chain 0.0240483 0.260294 0.260294
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0179784 0.189659 0.385107
Brugia malayi sodium-independent organic anion transporter family protein 0.00220736 0.00613257 0.00561187
Brugia malayi Calcium binding EGF domain containing protein 0.0109984 0.108434 0.215586
Echinococcus granulosus Tubulin alpha 1 chain 0.0308585 0.339544 0.339544
Onchocerca volvulus Peroxidasin homolog 0.0332196 0.36702 1
Echinococcus granulosus tubulin alpha 1C chain 0.0308585 0.339544 0.339544
Trypanosoma cruzi tubulin delta chain 0.016078 0.167544 0.339924
Echinococcus multilocularis beta tubulin 0.0438399 0.490607 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.00403372 0.0273859 0.0273859
Echinococcus granulosus Solute carrier organic anion transporter family 0.00220736 0.00613257 0.00613257
Brugia malayi hypoxia-induced factor 1 0.0191546 0.203346 0.410394
Onchocerca volvulus 0.0332196 0.36702 1
Echinococcus multilocularis epidermal growth factor receptor 0.0126233 0.127342 0.25956
Echinococcus granulosus tubulin gamma 1 chain 0.024064 0.260476 0.260476
Entamoeba histolytica tubulin family protein 0.0438399 0.490607 1
Schistosoma mansoni notch 0.0109984 0.108434 0.215586
Echinococcus multilocularis polycomb protein EED 0.00804927 0.0741145 0.151067
Loa Loa (eye worm) TK/INSR protein kinase 0.00403372 0.0273859 0.0492344
Loa Loa (eye worm) animal heme peroxidase 0.0332196 0.36702 0.746336
Schistosoma mansoni tubulin subunit alpha 0.0308585 0.339544 0.689941
Schistosoma mansoni enhancer of zeste ezh 0.00795603 0.0730294 0.142918
Loa Loa (eye worm) tubulin beta chain 0.0102158 0.0993265 0.196893
Echinococcus multilocularis tubulin alpha 3 chain 0.0308585 0.339544 0.692089
Echinococcus granulosus peroxisome assembly protein 26 0.0308585 0.339544 0.339544
Echinococcus multilocularis tubulin alpha chain 0.0308585 0.339544 0.692089
Trichomonas vaginalis conserved hypothetical protein 0.0102158 0.0993265 0.200542
Entamoeba histolytica tubulin family protein 0.0438399 0.490607 1
Echinococcus granulosus Solute carrier family 22 5 0.0876137 1 1
Plasmodium vivax tubulin gamma chain, putative 0.024064 0.260476 0.529801
Echinococcus multilocularis tubulin alpha chain 0.0308585 0.339544 0.692089
Brugia malayi Receptor family ligand binding region containing protein 0.00727096 0.0650573 0.126555
Schistosoma mansoni hypothetical protein 0.0109984 0.108434 0.215586
Toxoplasma gondii rhoptry neck protein RON9 0.00519912 0.0409475 0.0812636
Schistosoma mansoni tubulin subunit beta 0.0438399 0.490607 1
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Brugia malayi Animal haem peroxidase family protein 0.0332196 0.36702 0.746336
Leishmania major beta tubulin 0.0438399 0.490607 1
Echinococcus granulosus protein jagged 2 0.0109984 0.108434 0.108434
Brugia malayi Tubulin alpha chain 0.0102158 0.0993265 0.196893
Brugia malayi notch-like transmembrane receptor 0.0109984 0.108434 0.215586
Leishmania major alpha tubulin 0.0308585 0.339544 0.652489
Giardia lamblia Gamma tubulin 0.024064 0.260476 0.4706
Echinococcus multilocularis Tubulin beta 2C chain 0.0438399 0.490607 1
Trichomonas vaginalis tubulin alpha chain, putative 0.023096 0.249212 0.506785
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Onchocerca volvulus 0.0109984 0.108434 0.283471
Plasmodium vivax tubulin alpha chain, putative 0.0308585 0.339544 0.69135
Echinococcus multilocularis neurogenic locus protein delta 0.0109984 0.108434 0.221019
Loa Loa (eye worm) hypothetical protein 0.00220736 0.00613257 0.00561187
Schistosoma mansoni alpha tubulin 0.0308585 0.339544 0.689941
Loa Loa (eye worm) alpha-tubulin 0.0308585 0.339544 0.689941
Trypanosoma brucei alpha tubulin 0.0308585 0.339544 0.580701
Plasmodium vivax delta tubulin, putative 0.0102158 0.0993265 0.200542
Echinococcus multilocularis tubulin alpha chain 0.0308585 0.339544 0.692089
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0102158 0.0993265 1
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Schistosoma mansoni tubulin subunit beta 0.0438399 0.490607 1
Toxoplasma gondii beta-tubulin, putative 0.0438399 0.490607 1
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Brugia malayi Peroxidasin 0.0332196 0.36702 0.746336
Brugia malayi alpha-tubulin 0.0308585 0.339544 0.689941
Echinococcus multilocularis Solute carrier organic anion transporter family 0.00220736 0.00613257 0.0125
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Brugia malayi Tubulin alpha chain 0.0308585 0.339544 0.689941
Loa Loa (eye worm) tubulin beta-1 chain 0.0438399 0.490607 1
Leishmania major beta tubulin 0.0438399 0.490607 1
Trichomonas vaginalis tubulin beta chain, putative 0.0308585 0.339544 0.69135
Echinococcus granulosus single minded 2 0.00458044 0.0337479 0.0337479
Schistosoma mansoni notch 0.0109984 0.108434 0.215586
Entamoeba histolytica tubulin gamma chain 0.024064 0.260476 0.4706
Trypanosoma brucei alpha tubulin 0.0308585 0.339544 0.580701
Trypanosoma brucei zeta tubulin 0.0199775 0.212922 0.229244
Onchocerca volvulus 0.00519912 0.0409475 0.0964705
Echinococcus granulosus tubulin alpha 0.023096 0.249212 0.249212
Trichomonas vaginalis tubulin gamma chain, putative 0.024064 0.260476 0.529801
Brugia malayi Calcium binding EGF domain containing protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) tubulin alpha 2 0.0206427 0.220663 0.445937
Trypanosoma cruzi alpha tubulin, putative 0.0308585 0.339544 0.69135
Loa Loa (eye worm) hypothetical protein 0.0109984 0.108434 0.215586
Loa Loa (eye worm) hypothetical protein 0.0332196 0.36702 0.746336
Leishmania major beta tubulin 0.0438399 0.490607 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0206427 0.220663 0.448455
Plasmodium vivax tubulin beta chain, putative 0.0438399 0.490607 1
Echinococcus granulosus Tubulin beta 2C chain 0.0438399 0.490607 0.490607
Echinococcus granulosus tubulin subunit TubB 0.0308585 0.339544 0.339544
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Brugia malayi SET domain containing protein 0.00795603 0.0730294 0.142918
Brugia malayi Sushi domain 0.00519912 0.0409475 0.0770699
Echinococcus multilocularis transfer RNA-Lys 0.00458044 0.0337479 0.068788
Schistosoma mansoni tyrosine kinase 0.00403372 0.0273859 0.0492344
Echinococcus multilocularis tubulin alpha 0.023096 0.249212 0.507966
Onchocerca volvulus Dual oxidase homolog 0.0332196 0.36702 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0308585 0.339544 0.69135
Brugia malayi EGF-like domain containing protein 0.0109984 0.108434 0.215586
Plasmodium falciparum alpha tubulin 2 0.0308585 0.339544 0.69135
Loa Loa (eye worm) hypothetical protein 0.00519912 0.0409475 0.0770699
Echinococcus multilocularis tubulin alpha chain 0.0308585 0.339544 0.692089
Loa Loa (eye worm) hypothetical protein 0.020763 0.222063 0.44881

Activities

Activity type Activity value Assay description Source Reference
ED50 (ADMET) = 47.9 ug ml-1 Cytotoxicity against KB cells ChEMBL. 17532634
ED50 (ADMET) = 47.9 ug ml-1 Cytotoxicity against KB cells ChEMBL. 17532634
IC50 (functional) = 9.8 uM Inhibition of Trypanosoma cruzi ChEMBL. 17532634
IC50 (functional) = 9.8 uM Inhibition of Trypanosoma cruzi ChEMBL. 17532634
IC50 (functional) > 51.3 uM Inhibition of Leishmania donovani ChEMBL. 17532634
IC50 (functional) > 51.3 uM Inhibition of Leishmania donovani ChEMBL. 17532634

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23 17532634

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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