Detailed information for compound 105227

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.063 | Formula: C24H25ClN4O3S2
  • H donors: 0 H acceptors: 3 LogP: 3.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2c(s1)cc(cc2)Cl
  • InChi: 1S/C24H25ClN4O3S2/c1-2-27-10-9-26-23(27)17-3-5-18(6-4-17)24(30)28-11-13-29(14-12-28)34(31,32)22-15-19-7-8-20(25)16-21(19)33-22/h3-8,15-16H,2,9-14H2,1H3
  • InChiKey: QGPIYZBUSYLXQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus carbonic anhydrase 0.0027 0.0103 0.0175
Leishmania major calmodulin, putative 0.0027 0.0105 0.0178
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0016 0.0011 0.0033
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0033 0.0057
Leishmania major beta tubulin 0.036 0.2966 0.7268
Leishmania major calmodulin, putative 0.0027 0.0105 0.0178
Echinococcus multilocularis GPCR, family 2 0.0019 0.0033 0.0056
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0641 0.1641
Plasmodium falciparum tubulin delta chain, putative 0.0087 0.0622 0.2008
Trypanosoma brucei alpha tubulin, putative 0.0114 0.0849 0.2782
Echinococcus multilocularis Tubulin beta 2C chain 0.036 0.2966 0.5131
Brugia malayi hypothetical protein 0.0089 0.0641 0.1641
Echinococcus multilocularis tubulin gamma 1 chain 0.0201 0.1599 0.2766
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0019 0.0033 0.0106
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0033
Brugia malayi Calcium binding EGF domain containing protein 0.0016 0.0011 0.0027
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Loa Loa (eye worm) hypothetical protein 0.0027 0.0103 0.0343
Leishmania major beta tubulin 0.036 0.2966 0.7268
Trypanosoma cruzi tubulin delta chain 0.0087 0.0622 0.2008
Trichomonas vaginalis conserved hypothetical protein 0.1178 1 1
Leishmania major beta tubulin 0.036 0.2966 0.7268
Leishmania major carbonic anhydrase-like protein 0.0118 0.0885 0.211
Echinococcus granulosus Tubulin alpha 1 chain 0.0286 0.2333 0.3971
Loa Loa (eye worm) alpha-tubulin 0.0286 0.2333 0.7865
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0087 0.0622 0.2067
Echinococcus granulosus carbonic anhydrase 0.0027 0.0103 0.0175
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0641 0.2158
Loa Loa (eye worm) BEN-1 protein 0.036 0.2966 1
Onchocerca volvulus 0.0197 0.1569 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0118 0.0885 0.2265
Loa Loa (eye worm) tubulin alpha-3 chain 0.0173 0.1356 0.457
Echinococcus granulosus tubulin alpha chain 0.0286 0.2333 0.3971
Echinococcus multilocularis CalModulin family member (cmd 1) 0.0027 0.0105 0.0181
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0103 0.0263
Schistosoma mansoni tubulin subunit delta 0.0087 0.0622 0.1528
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.0885 0.2174
Brugia malayi Serotonin receptor 0.0469 0.3906 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Echinococcus multilocularis peroxisome assembly protein 26 0.0286 0.2333 0.4036
Trypanosoma brucei epsilon tubulin 0.0201 0.1599 0.5338
Loa Loa (eye worm) hypothetical protein 0.0286 0.2333 0.7865
Plasmodium falciparum alpha tubulin 2 0.0286 0.2333 0.7842
Echinococcus granulosus alpha tubulin 0.0286 0.2333 0.3971
Plasmodium vivax delta tubulin, putative 0.0087 0.0622 0.2008
Brugia malayi Tubulin alpha-2 chain 0.0286 0.2333 0.5974
Echinococcus multilocularis Niemann Pick C1 protein 0.0057 0.0361 0.0625
Schistosoma mansoni alpha tubulin 0.0286 0.2333 0.5734
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Echinococcus multilocularis tubulin alpha chain 0.0286 0.2333 0.4036
Onchocerca volvulus Dual oxidase homolog 0.0089 0.0641 0.4044
Echinococcus multilocularis tubulin delta chain 0.0087 0.0622 0.1076
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0011 0.0033
Leishmania major epsilon tubulin, putative 0.0201 0.1599 0.388
Schistosoma mansoni hypothetical protein 0.004 0.0219 0.0538
Schistosoma mansoni hypothetical protein 0.0019 0.0033 0.008
Onchocerca volvulus Putative sulfate transporter 0.0197 0.1569 1
Echinococcus multilocularis tubulin epsilon chain 0.0201 0.1599 0.2766
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0033 0.0075
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0379 0.0971
Echinococcus multilocularis tubulin alpha 1C chain 0.0286 0.2333 0.4036
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Echinococcus granulosus Ankyrin 0.0015 0.0001 0.0002
Toxoplasma gondii beta-1 tubulin, putative 0.036 0.2966 1
Brugia malayi Peroxidasin 0.0089 0.0641 0.1641
Schistosoma mansoni tubulin subunit beta 0.036 0.2966 0.729
Schistosoma mansoni peroxidasin 0.0089 0.0641 0.1575
Trichomonas vaginalis tubulin beta chain, putative 0.0286 0.2333 0.2252
Schistosoma mansoni egf-like domain protein 0.0016 0.0011 0.0026
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.1087 0.3662
Trichomonas vaginalis tubulin alpha chain, putative 0.036 0.2966 0.2892
Giardia lamblia Alpha-tubulin 0.0286 0.2333 0.7788
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0103 0.0253
Echinococcus granulosus laminin 0.0016 0.0011 0.0018
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.094 0.7953 1
Echinococcus multilocularis calmodulin 0.0027 0.0105 0.0181
Brugia malayi tubulin alpha-2 chain 0.0286 0.2333 0.5974
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0138 0.106 0.1805
Echinococcus granulosus tubulin subunit beta 0.036 0.2966 0.5048
Echinococcus multilocularis tubulin alpha chain 0.0286 0.2333 0.4036
Echinococcus multilocularis protein dispatched 1 0.0057 0.0361 0.0625
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0033
Schistosoma mansoni hypothetical protein 0.0027 0.0103 0.0253
Onchocerca volvulus Peroxidase homolog 0.0089 0.0641 0.4044
Plasmodium vivax sulfate transporter, putative 0.0031 0.0142 0.0373
Echinococcus granulosus hypothetical protein 0.0698 0.5875 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0286 0.2333 0.2252
Trypanosoma brucei beta tubulin 0.0201 0.1599 0.5338
Schistosoma mansoni tubulin subunit beta 0.036 0.2966 0.729
Toxoplasma gondii beta tubulin 0.036 0.2966 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0033 0.0055
Trypanosoma cruzi calmodulin 0.0027 0.0105 0.0245
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.1087 0.3662
Leishmania major beta tubulin 0.036 0.2966 0.7268
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0103 0.0178
Loa Loa (eye worm) hypothetical protein 0.004 0.0219 0.0734
Echinococcus granulosus tubulin alpha 0.0201 0.1599 0.2721
Echinococcus multilocularis Tubulin alpha 1 chain 0.0286 0.2333 0.4036
Echinococcus granulosus tubulin alpha 3 chain 0.0286 0.2333 0.3971
Mycobacterium ulcerans cell division protein FtsZ 0.0087 0.0622 0.0486
Echinococcus granulosus tubulin alpha 1C chain 0.0286 0.2333 0.3971
Schistosoma mansoni carbonic anhydrase 0.0027 0.0103 0.0253
Trypanosoma cruzi tubulin gamma chain 0.0201 0.1599 0.5338
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0228 0.1832 0.2271
Plasmodium vivax tubulin gamma chain, putative 0.0201 0.1599 0.5338
Giardia lamblia Delta tubulin 0.0087 0.0622 0.1807
Trichomonas vaginalis tubulin beta chain, putative 0.036 0.2966 0.2892
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0087 0.0622 0.0523
Trypanosoma brucei alpha tubulin 0.0286 0.2333 0.7842
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0033 0.0057
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Trichomonas vaginalis tubulin beta chain, putative 0.0286 0.2333 0.2252
Trypanosoma brucei alpha tubulin 0.0286 0.2333 0.7842
Plasmodium falciparum calmodulin 0.0027 0.0105 0.0245
Echinococcus granulosus tubulin subunit TubB 0.0286 0.2333 0.3971
Echinococcus granulosus Protein patched homolog 1 0.0057 0.0361 0.0615
Brugia malayi Tubulin alpha chain 0.0087 0.0622 0.1592
Echinococcus multilocularis Tubulin beta 2C chain 0.036 0.2966 0.5131
Echinococcus granulosus tubulin delta chain 0.0087 0.0622 0.1058
Trypanosoma cruzi calmodulin, putative 0.0027 0.0105 0.0245
Echinococcus granulosus Tubulin beta 2C chain 0.036 0.2966 0.5048
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Echinococcus granulosus tubulin alpha chain 0.0286 0.2333 0.3971
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0641 0.1641
Trypanosoma cruzi zeta tubulin, putative 0.0087 0.0622 0.2008
Echinococcus multilocularis tubulin beta 1 chain 0.036 0.2966 0.5131
Trichomonas vaginalis tubulin beta chain, putative 0.0114 0.0849 0.0752
Onchocerca volvulus 0.0089 0.0641 0.4044
Echinococcus granulosus Tubulin beta 2C chain 0.036 0.2966 0.5048
Trypanosoma brucei zeta tubulin 0.0087 0.0622 0.2008
Loa Loa (eye worm) hypothetical protein 0.0173 0.1356 0.457
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.0885 0.2265
Loa Loa (eye worm) hypothetical protein 0.0027 0.0103 0.0343
Echinococcus multilocularis Tubulin beta 2C chain 0.036 0.2966 0.5131
Leishmania major beta tubulin 0.036 0.2966 0.7268
Plasmodium vivax tubulin alpha chain, putative 0.0286 0.2333 0.7842
Echinococcus granulosus calmodulin 0.0027 0.0105 0.0178
Giardia lamblia Gamma tubulin 0.0201 0.1599 0.5221
Schistosoma mansoni hypothetical protein 0.0019 0.0033 0.008
Trypanosoma brucei epsilon tubulin 0.0201 0.1599 0.5338
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Schistosoma mansoni tubulin subunit alpha 0.0286 0.2333 0.5734
Brugia malayi beta-tubulin, identical 0.036 0.2966 0.7594
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0138 0.106 0.2715
Schistosoma mansoni tubulin subunit beta 0.036 0.2966 0.729
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0641 0.1641
Echinococcus granulosus Tubulin beta 2C chain 0.036 0.2966 0.5048
Brugia malayi Cell division protein ftsZ 0.0087 0.0622 0.1592
Trichomonas vaginalis tubulin, putative 0.036 0.2966 0.2892
Trichomonas vaginalis tubulin beta chain, putative 0.0286 0.2333 0.2252
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0103 0.0178
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0033
Trichomonas vaginalis tubulin beta chain, putative 0.0286 0.2333 0.2252
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0033 0.0083
Leishmania major zeta tubulin, putative 0.0087 0.0622 0.1459
Loa Loa (eye worm) carbonic anhydrase 3 0.0118 0.0885 0.298
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.0885 0.2174
Toxoplasma gondii alpha-tubulin I, putative 0.0286 0.2333 0.7858
Onchocerca volvulus 0.0114 0.0849 0.5381
Loa Loa (eye worm) hypothetical protein 0.0027 0.0103 0.0343
Onchocerca volvulus Peroxidasin homolog 0.0089 0.0641 0.4044
Schistosoma mansoni peroxidasin 0.0089 0.0641 0.1575
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0033 0.0075
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0641 0.2158
Trichomonas vaginalis tubulin, putative 0.0114 0.0849 0.0752
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0622 0.0523
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0103 0.0263
Loa Loa (eye worm) tubulin alpha chain 0.0286 0.2333 0.7865
Loa Loa (eye worm) alpha-tubulin 0.0286 0.2333 0.7865
Brugia malayi Tubulin gamma chain 0.0201 0.1599 0.4093
Echinococcus multilocularis calmodulin 0.0027 0.0105 0.0181
Loa Loa (eye worm) hypothetical protein 0.0179 0.141 0.4751
Echinococcus multilocularis Tolloid protein 1 0.0016 0.0011 0.0019
Trichomonas vaginalis tubulin alpha chain, putative 0.0201 0.1599 0.151
Schistosoma mansoni hypothetical protein 0.0019 0.0033 0.008
Leishmania major beta tubulin 0.036 0.2966 0.7268
Plasmodium vivax tubulin beta chain, putative 0.036 0.2966 1
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0641 0.1641
Echinococcus multilocularis carbonic anhydrase II 0.0118 0.0885 0.153
Trichomonas vaginalis tubulin gamma chain, putative 0.0201 0.1599 0.151
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0103 0.0253
Trichomonas vaginalis tubulin epsilon chain, putative 0.0286 0.2333 0.2252
Schistosoma mansoni hypothetical protein 0.0201 0.1596 0.3923
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Loa Loa (eye worm) hypothetical protein 0.0059 0.0379 0.1276
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Trypanosoma brucei calmodulin 0.0027 0.0105 0.0245
Trypanosoma cruzi tubulin delta chain 0.0087 0.0622 0.2008
Giardia lamblia Alpha-tubulin 0.0286 0.2333 0.7788
Echinococcus multilocularis Tubulin alpha 1 chain 0.0286 0.2333 0.4036
Echinococcus multilocularis beta tubulin 0.036 0.2966 0.5131
Onchocerca volvulus Calmodulin homolog 0.0027 0.0105 0.0603
Mycobacterium leprae Probable transmembrane transport protein 0.0228 0.1832 0.351
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0031 0.0142 0.0373
Echinococcus multilocularis calmodulin 0.0027 0.0105 0.0181
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0027 0.0103 0.0343
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0199 0.1583 0.1494
Leishmania major calmodulin, putative 0.0027 0.0105 0.0178
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0103 0.0253
Echinococcus granulosus tubulin alpha chain 0.0286 0.2333 0.3971
Trypanosoma cruzi calmodulin, putative 0.0027 0.0105 0.0245
Trichomonas vaginalis tubulin alpha chain, putative 0.0114 0.0849 0.0752
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0173 0.1356 0.1265
Leishmania major beta tubulin 0.036 0.2966 0.7268
Echinococcus multilocularis tubulin alpha chain 0.0286 0.2333 0.4036
Echinococcus multilocularis calmodulin 0.0027 0.0104 0.0181
Schistosoma mansoni tubulin subunit beta 0.036 0.2966 0.729
Echinococcus multilocularis sterol regulatory element binding protein 0.0057 0.0361 0.0625
Schistosoma mansoni tubulin subunit epsilon 0.0201 0.1599 0.3929
Loa Loa (eye worm) hypothetical protein 0.0027 0.0105 0.0349
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0031 0.0142 0.0445
Leishmania major beta tubulin 0.036 0.2966 0.7268
Entamoeba histolytica tubulin alpha-1 chain 0.0286 0.2333 0.5622
Loa Loa (eye worm) tubulin beta-1 chain 0.036 0.2966 1
Echinococcus granulosus peroxisome assembly protein 26 0.0286 0.2333 0.3971
Echinococcus multilocularis peroxidasin 0.0089 0.0641 0.1109
Entamoeba histolytica tubulin family protein 0.036 0.2966 0.7218
Trypanosoma brucei beta tubulin 0.036 0.2966 1
Toxoplasma gondii calmodulin, putative 0.0027 0.0105 0.0318
Brugia malayi calmodulin 0.0027 0.0105 0.0268
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0114 0.0849 0.0752
Echinococcus multilocularis tubulin subunit beta 0.036 0.2966 0.5131
Echinococcus granulosus Tubulin beta 2C chain 0.036 0.2966 0.5048
Echinococcus granulosus tubulin gamma 1 chain 0.0201 0.1599 0.2721
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Brugia malayi isocitrate dehydrogenase 0.0019 0.0033 0.0084
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0011 0.0027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0379 0.1276
Echinococcus multilocularis tubulin alpha chain 0.0286 0.2333 0.4036
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0065 0.043 0.1135
Brugia malayi Tubulin beta chain 0.0114 0.0849 0.2174
Onchocerca volvulus 0.0089 0.0641 0.4044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0033 0.0056
Loa Loa (eye worm) tubulin beta-4 chain 0.036 0.2966 1
Trichomonas vaginalis tubulin gamma chain, putative 0.036 0.2966 0.2892
Schistosoma mansoni tubulin subunit beta 0.036 0.2966 0.729
Echinococcus granulosus nuclear factor of activated T cells 5 0.0076 0.0527 0.0898
Trypanosoma cruzi epsilon tubulin, putative 0.0201 0.1599 0.5338
Trichomonas vaginalis tubulin beta chain, putative 0.0286 0.2333 0.2252
Loa Loa (eye worm) tubulin alpha chain 0.0286 0.2333 0.7865
Brugia malayi Tubulin beta-1 chain 0.036 0.2966 0.7594
Plasmodium vivax tubulin epsilon chain, putative 0.0201 0.1599 0.5338
Leishmania major beta tubulin 0.036 0.2966 0.7268
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0031 0.0142 0.0373
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0138 0.106 0.3503
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0641 0.1641
Plasmodium falciparum tubulin epsilon chain, putative 0.0201 0.1599 0.5338
Echinococcus granulosus tubulin alpha chain 0.0286 0.2333 0.3971
Plasmodium falciparum tubulin gamma chain 0.0201 0.1599 0.5338
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0488 0.4069 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0033 0.0056
Treponema pallidum cell division protein FtsZ 0.0087 0.0622 0.5
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0138 0.106 0.0931
Entamoeba histolytica carbonic anhydrase, putative 0.0488 0.4069 1
Brugia malayi Fibulin-1 precursor 0.0016 0.0011 0.0027
Leishmania major beta tubulin 0.036 0.2966 0.7268
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0201 0.1599 0.5373
Schistosoma mansoni tubulin subunit alpha 0.0286 0.2333 0.5734
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0033 0.0057
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.025 0.2022 0.2511
Trypanosoma brucei calmodulin 0.0027 0.0105 0.0245
Loa Loa (eye worm) beta-tubulin 0.036 0.2966 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0361 0.1215
Echinococcus multilocularis calmodulin 0.0027 0.0105 0.0181
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0031 0.0142 0.0373
Leishmania major beta tubulin 0.036 0.2966 0.7268
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0065 0.043 0.0328
Echinococcus multilocularis Tubulin beta 2C chain 0.036 0.2966 0.5131
Trypanosoma brucei alpha tubulin 0.0286 0.2333 0.7842
Trichomonas vaginalis tubulin epsilon chain, putative 0.036 0.2966 0.2892
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0641 0.2158
Brugia malayi alpha-tubulin 0.0286 0.2333 0.5974
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0138 0.106 0.3503
Echinococcus granulosus tubulin epsilon chain 0.0201 0.1599 0.2721
Trypanosoma brucei beta tubulin 0.036 0.2966 1
Brugia malayi Blistered cuticle protein 3 0.0089 0.0641 0.1641
Echinococcus multilocularis conserved hypothetical protein 0.0687 0.578 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0016 0.0011 0.0026
Leishmania major beta tubulin 0.036 0.2966 0.7268
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0379 0.0971
Trypanosoma cruzi alpha tubulin, putative 0.0286 0.2333 0.7842
Loa Loa (eye worm) tubulin gamma chain 0.0201 0.1599 0.5388
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Trichomonas vaginalis tubulin alpha chain, putative 0.0114 0.0849 0.0752
Brugia malayi hypothetical protein 0.0179 0.141 0.3609
Toxoplasma gondii hypothetical protein 0.0027 0.0103 0.0312
Giardia lamblia Beta tubulin 0.036 0.2966 1
Echinococcus granulosus beta tubulin 0.036 0.2966 0.5048
Plasmodium falciparum tubulin beta chain 0.036 0.2966 1
Trypanosoma cruzi zeta tubulin, putative 0.0087 0.0622 0.2008
Entamoeba histolytica tubulin family protein 0.036 0.2966 0.7218
Giardia lamblia Beta tubulin 0.036 0.2966 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.0885 0.2904
Echinococcus granulosus GPCR family 2 0.0019 0.0033 0.0055
Echinococcus granulosus tubulin alpha 1C chain 0.0286 0.2333 0.3971
Trypanosoma brucei beta tubulin 0.036 0.2966 1
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0361 0.0259
Echinococcus granulosus calmodulin 0.0027 0.0104 0.0178
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0057 0.0361 0.1215
Trypanosoma brucei carbonic anhydrase-like protein 0.0118 0.0885 0.2904
Trichomonas vaginalis tubulin, putative 0.0087 0.0622 0.0523
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0087 0.0622 0.2067
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0033
Echinococcus multilocularis beta tubulin 0.036 0.2966 0.5131
Echinococcus multilocularis laminin 0.0016 0.0011 0.0019
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0076 0.0527 0.0913
Echinococcus granulosus peroxidasin 0.0089 0.0641 0.1091
Schistosoma mansoni hypothetical protein 0.0019 0.0033 0.008
Echinococcus granulosus Tolloid protein 1 0.0016 0.0011 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0622 0.0523
Schistosoma mansoni alpha tubulin 0.0286 0.2333 0.5734
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Trichomonas vaginalis tubulin alpha chain, putative 0.0114 0.0849 0.0752
Echinococcus multilocularis Tubulin alpha 1 chain 0.0286 0.2333 0.4036
Schistosoma mansoni tubulin subunit alpha 0.0286 0.2333 0.5734
Echinococcus granulosus Tubulin beta 2C chain 0.036 0.2966 0.5048
Leishmania major delta tubulin, putative 0.0087 0.0622 0.1459
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Echinococcus granulosus CalModulin family member cmd 1 0.0027 0.0105 0.0178
Echinococcus granulosus geminin 0.0201 0.1596 0.2717
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0031 0.0142 0.0373
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0033 0.0106
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Mycobacterium tuberculosis Cell division protein FtsZ 0.0087 0.0622 0.0744
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0033 0.0081
Trichomonas vaginalis tubulin, putative 0.0114 0.0849 0.0752
Schistosoma mansoni carbonic anhydrase 0.0488 0.4069 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0001 0.0003
Loa Loa (eye worm) BEN-1 protein 0.036 0.2966 1
Schistosoma mansoni calmodulin 0.0027 0.0105 0.0257
Leishmania major beta tubulin 0.036 0.2966 0.7268
Loa Loa (eye worm) tubulin beta-2A chain 0.036 0.2966 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0033 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.1178 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0057 0.0361 0.0888
Echinococcus multilocularis tubulin alpha 1C chain 0.0286 0.2333 0.4036
Brugia malayi Tubulin alpha chain 0.0286 0.2333 0.5974
Trypanosoma cruzi calmodulin 0.0027 0.0105 0.0245
Echinococcus multilocularis protein patched 0.0057 0.0361 0.0625
Echinococcus multilocularis hypothetical protein 0.0286 0.2333 0.4036
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Echinococcus granulosus Tubulin alpha 1 chain 0.0286 0.2333 0.3971
Echinococcus granulosus tubulin alpha 3 chain 0.0286 0.2333 0.3971
Schistosoma mansoni tubulin subunit alpha 0.0087 0.0622 0.1528
Echinococcus multilocularis calmodulin 0.0027 0.0105 0.0181
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0033 0.0057
Loa Loa (eye worm) tubulin beta chain 0.0087 0.0622 0.2093
Schistosoma mansoni hypothetical protein 0.0201 0.1596 0.3923
Echinococcus multilocularis tubulin, beta 4A class IVa 0.036 0.2966 0.5131
Entamoeba histolytica tubulin gamma chain 0.0201 0.1599 0.3769
Echinococcus multilocularis tubulin alpha 3 chain 0.0286 0.2333 0.4036
Echinococcus multilocularis fibrillin 1 0.0016 0.0011 0.0019
Giardia lamblia Beta tubulin 0.036 0.2966 1
Trichomonas vaginalis tubulin beta chain, putative 0.0286 0.2333 0.2252
Trypanosoma cruzi calmodulin, putative 0.0027 0.0105 0.0245
Echinococcus granulosus calmodulin 0.0027 0.0105 0.0178
Leishmania major beta tubulin 0.036 0.2966 0.7268
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0087 0.0622 0.5
Trypanosoma cruzi beta tubulin, putative 0.036 0.2966 1
Giardia lamblia Epsilon tubulin 0.0087 0.0622 0.1807
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0641 0.2158
Echinococcus granulosus beta tubulin 0.036 0.2966 0.5048
Trichomonas vaginalis tubulin epsilon chain, putative 0.0087 0.0622 0.0523
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Echinococcus granulosus Tubulin alpha 1 chain 0.0286 0.2333 0.3971
Echinococcus granulosus carbonic anhydrase II 0.0118 0.0885 0.1506
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Trypanosoma brucei tubulin delta chain 0.0087 0.0622 0.2008
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0199 0.1583 0.5337
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0103 0.0178
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0033 0.0056
Leishmania major beta tubulin 0.036 0.2966 0.7268
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0033 0.0107
Trypanosoma brucei calmodulin 0.0027 0.0105 0.0245
Loa Loa (eye worm) tubulin alpha 2 0.0199 0.1583 0.5337
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0065 0.043 0.0328
Brugia malayi MH2 domain containing protein 0.0141 0.1087 0.2783
Echinococcus multilocularis Ankyrin 0.0015 0.0001 0.0002
Echinococcus multilocularis tubulin alpha chain 0.0286 0.2333 0.4036
Loa Loa (eye worm) tubulin alpha 2 0.0199 0.1583 0.5337
Trypanosoma brucei calmodulin 0.0027 0.0105 0.0245
Trypanosoma brucei epsilon tubulin 0.0201 0.1599 0.5338
Onchocerca volvulus Peroxidase homolog 0.0089 0.0641 0.4044
Trichomonas vaginalis tubulin epsilon chain, putative 0.0286 0.2333 0.2252
Schistosoma mansoni tubulin subunit beta 0.0087 0.0622 0.1528
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0033 0.0083
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0219 0.056
Trypanosoma brucei zeta tubulin, putative 0.0087 0.0622 0.2008
Echinococcus multilocularis geminin 0.0201 0.1596 0.2762
Plasmodium falciparum carbonic anhydrase 0.0027 0.0103 0.0239
Echinococcus granulosus tubulin alpha chain 0.0286 0.2333 0.3971
Chlamydia trachomatis sulfate transporter 0.0031 0.0142 0.5
Loa Loa (eye worm) hypothetical protein 0.0199 0.1583 0.5337
Trypanosoma cruzi epsilon tubulin, putative 0.0201 0.1599 0.5338
Plasmodium vivax tubulin alpha chain, putative 0.0286 0.2333 0.7842
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0103 0.0263
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0466 0.3879 0.4856
Trypanosoma brucei alpha tubulin 0.0286 0.2333 0.7842
Toxoplasma gondii alpha tubulin TUBA1 0.0286 0.2333 0.7858
Loa Loa (eye worm) tubulin alpha-2 chain 0.0286 0.2333 0.7865
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0016 0.0011 0.0033
Echinococcus granulosus calmodulin 0.0027 0.0105 0.0178
Echinococcus multilocularis tubulin alpha 3 chain 0.0286 0.2333 0.4036
Onchocerca volvulus Chorion peroxidase homolog 0.0089 0.0641 0.4044
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0033 0.0084
Trichomonas vaginalis tubulin epsilon chain, putative 0.036 0.2966 0.2892
Echinococcus granulosus tubulin beta 4A class IVa 0.036 0.2966 0.5048
Mycobacterium ulcerans carbonic anhydrase 0.0488 0.4069 0.3983
Onchocerca volvulus 0.0179 0.141 0.898
Onchocerca volvulus Peroxidasin homolog 0.0089 0.0641 0.4044
Plasmodium vivax calmodulin, putative 0.0027 0.0105 0.0245
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0118 0.0885 0.298
Leishmania major carbonic anhydrase family protein, putative 0.0488 0.4069 1
Leishmania major beta tubulin 0.036 0.2966 0.7268
Entamoeba histolytica tubulin alpha chain, putative 0.0286 0.2333 0.5622
Loa Loa (eye worm) hypothetical protein 0.0089 0.0641 0.2158
Brugia malayi Tubulin alpha-2 chain 0.0286 0.2333 0.5974
Echinococcus multilocularis Tubulin beta 2C chain 0.036 0.2966 0.5131
Leishmania major beta tubulin 0.036 0.2966 0.7268
Onchocerca volvulus 0.0027 0.0104 0.0601
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0103 0.0263
Trypanosoma brucei tubulin gamma chain 0.0201 0.1599 0.5338
Schistosoma mansoni alpha tubulin 0.0286 0.2333 0.5734
Loa Loa (eye worm) blistered cuticle protein 3 0.0089 0.0641 0.2158
Echinococcus granulosus tubulin beta 1 chain 0.036 0.2966 0.5048
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0065 0.043 0.0328
Plasmodium falciparum alpha tubulin 1 0.0286 0.2333 0.7842
Echinococcus multilocularis tubulin subunit TubB 0.0286 0.2333 0.4036
Echinococcus granulosus carbonic anhydrase 0.0027 0.0103 0.0175
Trichomonas vaginalis tubulin gamma chain, putative 0.0087 0.0622 0.0523
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0103 0.0263
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.0885 0.2904
Schistosoma mansoni patched 1 0.0057 0.0361 0.0888
Loa Loa (eye worm) hypothetical protein 0.0138 0.106 0.3572
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0138 0.106 0.2606
Toxoplasma gondii beta-tubulin, putative 0.036 0.2966 1
Loa Loa (eye worm) tubulin beta chain 0.036 0.2966 1
Onchocerca volvulus 0.0089 0.0641 0.4044
Leishmania major gamma-tubulin 0.0201 0.1599 0.388
Echinococcus granulosus sterol regulatory element binding protein 0.0057 0.0361 0.0615
Leishmania major alpha tubulin 0.0286 0.2333 0.57
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0138 0.106 0.1834
Echinococcus granulosus Niemann Pick C1 protein 0.0057 0.0361 0.0615
Leishmania major beta tubulin 0.036 0.2966 0.7268
Brugia malayi Tubulin beta chain 0.0087 0.0622 0.1592
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0138 0.106 0.2546
Trichomonas vaginalis tubulin gamma chain, putative 0.0201 0.1599 0.151
Brugia malayi CHE-14 protein 0.0057 0.0361 0.0925
Schistosoma mansoni tubulin subunit beta 0.036 0.2966 0.729
Loa Loa (eye worm) tubulin alpha 2 0.0085 0.0607 0.2042
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0138 0.106 0.3503
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0033
Brugia malayi tubulin alpha chain - mouse 0.0286 0.2333 0.5974
Echinococcus multilocularis tubulin alpha 0.0201 0.1599 0.2766
Trypanosoma brucei beta tubulin 0.036 0.2966 1
Schistosoma mansoni tubulin subunit gamma 0.0201 0.1599 0.3929

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36 nM In vitro inhibitory activity against Coagulation factor X was determined ChEMBL. 15080981
IC50 (binding) = 36 nM In vitro inhibitory activity against Coagulation factor X was determined ChEMBL. 15080981

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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