Detailed information for compound 64780

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 295.723 | Formula: C16H10ClN3O
  • H donors: 1 H acceptors: 3 LogP: 4.1 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1nn(c(c1cn2)O)c1ccccc1
  • InChi: 1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,21H
  • InChiKey: BRHDHCCBLFEIRY-UHFFFAOYSA-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) hypothetical protein 0.0093 0.0274 0.206
Echinococcus multilocularis beta tubulin 0.0345 0.1331 1
Trypanosoma brucei beta tubulin 0.0193 0.0691 0.4567
Brugia malayi alpha-tubulin 0.0274 0.1035 0.7774
Echinococcus multilocularis tubulin alpha 1C chain 0.0274 0.1035 0.7774
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0121 0.0906
Echinococcus multilocularis tubulin alpha 3 chain 0.0274 0.1035 0.7774
Schistosoma mansoni alpha tubulin 0.0274 0.1035 0.2539
Echinococcus granulosus tubulin alpha 1C chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) alpha-tubulin 0.0274 0.1035 0.7774
Loa Loa (eye worm) tubulin beta chain 0.0084 0.0234 0.1757
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Echinococcus granulosus Tubulin alpha 1 chain 0.0274 0.1035 0.7774
Onchocerca volvulus 0.0093 0.0274 0.1026
Toxoplasma gondii beta-1 tubulin, putative 0.0345 0.1331 1
Brugia malayi Peroxidasin 0.0093 0.0274 0.206
Schistosoma mansoni tubulin subunit beta 0.0345 0.1331 0.3266
Brugia malayi CHE-14 protein 0.0057 0.0121 0.0909
Onchocerca volvulus 0.0064 0.0153 0.0191
Echinococcus multilocularis tubulin delta chain 0.0084 0.0234 0.1757
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.003 0.0228
Schistosoma mansoni tubulin subunit beta 0.0345 0.1331 0.3266
Trypanosoma brucei beta tubulin 0.0345 0.1331 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0166 0.0578 0.4339
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0122 0.0396 0.0971
Plasmodium vivax delta tubulin, putative 0.0084 0.0234 0.0902
Giardia lamblia Delta tubulin 0.0084 0.0234 0.0678
Trichomonas vaginalis tubulin gamma chain, putative 0.0345 0.1331 0.1225
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0109 0.034 0.0222
Entamoeba histolytica tubulin family protein 0.0345 0.1331 0.3215
Schistosoma mansoni tubulin subunit beta 0.0345 0.1331 0.3266
Trichomonas vaginalis tubulin gamma chain, putative 0.0193 0.0691 0.0577
Plasmodium vivax tubulin gamma chain, putative 0.0193 0.0691 0.4693
Echinococcus multilocularis Tubulin alpha 1 chain 0.0274 0.1035 0.7774
Echinococcus granulosus tubulin alpha chain 0.0274 0.1035 0.7774
Trichomonas vaginalis tubulin beta chain, putative 0.0274 0.1035 0.0925
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0045 0.0341
Trypanosoma cruzi zeta tubulin, putative 0.0084 0.0234 0.0686
Echinococcus multilocularis tubulin subunit beta 0.0345 0.1331 1
Trypanosoma brucei alpha tubulin 0.0274 0.1035 0.7484
Echinococcus granulosus Tubulin beta 2C chain 0.0345 0.1331 1
Brugia malayi hypothetical protein 0.0093 0.0274 0.206
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.0452 0.3393
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Echinococcus multilocularis tubulin alpha 1C chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0122 0.0396 0.2974
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.0241 0.181
Echinococcus granulosus carbonic anhydrase II 0.0122 0.0396 0.2974
Toxoplasma gondii alpha-tubulin I, putative 0.0274 0.1035 0.7774
Loa Loa (eye worm) hypothetical protein 0.0057 0.0121 0.0906
Loa Loa (eye worm) tubulin alpha chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Brugia malayi Animal haem peroxidase family protein 0.0093 0.0274 0.206
Brugia malayi Tubulin beta chain 0.0109 0.034 0.2556
Schistosoma mansoni tubulin subunit alpha 0.0084 0.0234 0.0574
Echinococcus multilocularis Polycystic kidney disease protein 0.0058 0.0125 0.094
Echinococcus granulosus tubulin alpha chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Trichomonas vaginalis tubulin alpha chain, putative 0.0109 0.034 0.0222
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0191 0.0684 0.057
Entamoeba histolytica tubulin gamma chain 0.0193 0.0691 0.1633
Echinococcus granulosus lipoxygenase domain containing protein 0.0058 0.0125 0.094
Echinococcus granulosus tubulin epsilon chain 0.0193 0.0691 0.5192
Trichomonas vaginalis tubulin beta chain, putative 0.0274 0.1035 0.0925
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.0274 0.206
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0122 0.0396 0.206
Giardia lamblia Gamma tubulin 0.0193 0.0691 0.4562
Schistosoma mansoni tubulin subunit beta 0.0345 0.1331 0.3266
Trypanosoma brucei beta tubulin 0.0345 0.1331 1
Schistosoma mansoni lipoxygenase 0.0223 0.0817 0.2006
Toxoplasma gondii alpha tubulin TUBA1 0.0274 0.1035 0.7774
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.0172
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.0274 0.206
Schistosoma mansoni hypothetical protein 0.0039 0.0045 0.0111
Brugia malayi tubulin alpha-2 chain 0.0274 0.1035 0.7774
Giardia lamblia Epsilon tubulin 0.0084 0.0234 0.0678
Trichomonas vaginalis tubulin beta chain, putative 0.0274 0.1035 0.0925
Trypanosoma brucei alpha tubulin 0.0274 0.1035 0.7484
Echinococcus granulosus Tubulin beta 2C chain 0.0345 0.1331 1
Echinococcus multilocularis tubulin alpha chain 0.0274 0.1035 0.7774
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0065 0.0154 0.0034
Loa Loa (eye worm) hypothetical protein 0.0057 0.0121 0.0909
Echinococcus granulosus peroxidasin 0.0093 0.0274 0.206
Plasmodium falciparum LCCL domain-containing protein 0.0058 0.0125 0.094
Schistosoma mansoni hypothetical protein 0.0035 0.003 0.0074
Schistosoma mansoni hypothetical protein 0.0192 0.069 0.1693
Schistosoma mansoni polycystin 1-related 0.0058 0.0125 0.0307
Echinococcus multilocularis hypothetical protein 0.0274 0.1035 0.7774
Echinococcus granulosus RUN 0.0058 0.0125 0.094
Plasmodium falciparum tubulin beta chain 0.0345 0.1331 1
Onchocerca volvulus 0.0172 0.0603 0.3287
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Echinococcus multilocularis lipoxygenase domain containing protein 0.0058 0.0125 0.094
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.003 0.0074
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Echinococcus granulosus Protein patched homolog 1 0.0057 0.0121 0.0909
Schistosoma mansoni lipoxygenase 0.0119 0.0382 0.0937
Loa Loa (eye worm) blistered cuticle protein 3 0.0093 0.0274 0.206
Loa Loa (eye worm) tubulin beta-4 chain 0.0345 0.1331 1
Brugia malayi TAR-binding protein 0.0062 0.0142 0.1069
Loa Loa (eye worm) tubulin alpha-2 chain 0.0274 0.1035 0.7774
Giardia lamblia Alpha-tubulin 0.0274 0.1035 0.7482
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Trichomonas vaginalis tubulin alpha chain, putative 0.0345 0.1331 0.1225
Trypanosoma cruzi tubulin gamma chain 0.0193 0.0691 0.4567
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0142 0.1069
Brugia malayi hypothetical protein 0.0035 0.003 0.0228
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.007 0.0528
Loa Loa (eye worm) hypothetical protein 0.0058 0.0125 0.094
Echinococcus multilocularis jun protein 0.0085 0.0241 0.181
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Brugia malayi hypothetical protein 0.0058 0.0125 0.094
Schistosoma mansoni tubulin subunit beta 0.0084 0.0234 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.2412 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0345 0.1331 1
Onchocerca volvulus 0.0093 0.0274 0.1026
Loa Loa (eye worm) hypothetical protein 0.0039 0.0045 0.0341
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Schistosoma mansoni peroxidasin 0.0093 0.0274 0.0673
Brugia malayi Tubulin gamma chain 0.0193 0.0691 0.5192
Trichomonas vaginalis tubulin beta chain, putative 0.0109 0.034 0.0222
Echinococcus granulosus Tubulin beta 2C chain 0.0345 0.1331 1
Echinococcus granulosus Tubulin beta 2C chain 0.0345 0.1331 1
Loa Loa (eye worm) tubulin alpha 2 0.0191 0.0684 0.5138
Onchocerca volvulus Peroxidasin homolog 0.0093 0.0274 0.1026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.0528
Echinococcus multilocularis tubulin alpha chain 0.0274 0.1035 0.7774
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0084 0.0234 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0122 0.0396 0.2974
Plasmodium falciparum alpha tubulin 2 0.0274 0.1035 0.7774
Loa Loa (eye worm) hypothetical protein 0.0166 0.0578 0.4339
Brugia malayi Animal haem peroxidase family protein 0.0093 0.0274 0.206
Loa Loa (eye worm) carbonic anhydrase 3 0.0122 0.0396 0.2974
Leishmania major carbonic anhydrase-like protein 0.0122 0.0396 0.0421
Mycobacterium ulcerans cell division protein FtsZ 0.0084 0.0234 0.0082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0121 0.0906
Leishmania major epsilon tubulin, putative 0.0193 0.0691 0.119
Echinococcus multilocularis peroxisome assembly protein 26 0.0274 0.1035 0.7774
Treponema pallidum ATP-binding protein (ylxH-1) 0.0511 0.2029 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Echinococcus multilocularis peroxidasin 0.0093 0.0274 0.206
Brugia malayi tubulin alpha chain - mouse 0.0274 0.1035 0.7774
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0064 0.0153 0.115
Trichomonas vaginalis tubulin beta chain, putative 0.0274 0.1035 0.0925
Brugia malayi Tubulin alpha chain 0.0084 0.0234 0.1757
Loa Loa (eye worm) alpha-tubulin 0.0274 0.1035 0.7774
Schistosoma mansoni tubulin subunit alpha 0.0274 0.1035 0.2539
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0274 0.1035 0.0925
Schistosoma mansoni tubulin subunit delta 0.0084 0.0234 0.0574
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Trichomonas vaginalis tubulin epsilon chain, putative 0.0274 0.1035 0.0925
Trypanosoma cruzi alpha tubulin, putative 0.0274 0.1035 0.7484
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0191 0.0684 0.5138
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0223 0.0817 0.6142
Loa Loa (eye worm) tubulin gamma chain 0.0193 0.0691 0.5192
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0142 0.0349
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Schistosoma mansoni jun-related protein 0.007 0.0176 0.0433
Echinococcus multilocularis tubulin alpha chain 0.0274 0.1035 0.7774
Trypanosoma brucei alpha tubulin, putative 0.0109 0.034 0.1589
Toxoplasma gondii beta tubulin 0.0345 0.1331 1
Toxoplasma gondii beta-tubulin, putative 0.0345 0.1331 1
Onchocerca volvulus Peroxidase homolog 0.0093 0.0274 0.1026
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0138 0.0461 0.2612
Echinococcus granulosus tar DNA binding protein 0.0062 0.0142 0.1069
Leishmania major carbonic anhydrase family protein, putative 0.0999 0.4075 1
Brugia malayi hypothetical protein 0.0064 0.0153 0.1149
Schistosoma mansoni loxhd1 0.0058 0.0125 0.0307
Mycobacterium ulcerans hypothetical protein 0.0106 0.0327 0.0177
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0138 0.0461 0.3462
Echinococcus granulosus Tubulin beta 2C chain 0.0345 0.1331 1
Schistosoma mansoni tubulin subunit alpha 0.0274 0.1035 0.2539
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1924 0.7955 1
Schistosoma mansoni rab6-interacting 0.0058 0.0125 0.0307
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Echinococcus multilocularis sterol regulatory element binding protein 0.0057 0.0121 0.0909
Loa Loa (eye worm) hypothetical protein 0.0138 0.0461 0.3462
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Echinococcus granulosus tubulin alpha chain 0.0274 0.1035 0.7774
Echinococcus granulosus tubulin gamma 1 chain 0.0193 0.0691 0.5192
Echinococcus granulosus tubulin beta 4A class IVa 0.0345 0.1331 1
Schistosoma mansoni tubulin subunit beta 0.0345 0.1331 0.3266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.0172
Schistosoma mansoni tubulin subunit gamma 0.0193 0.0691 0.1696
Brugia malayi Tubulin alpha chain 0.0274 0.1035 0.7774
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.0241 0.181
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Schistosoma mansoni alpha tubulin 0.0274 0.1035 0.2539
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0142 0.0349
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0193 0.0691 0.5192
Schistosoma mansoni hypothetical protein 0.0058 0.0125 0.0307
Echinococcus granulosus tubulin subunit TubB 0.0274 0.1035 0.7774
Trichomonas vaginalis tubulin, putative 0.0345 0.1331 0.1225
Echinococcus multilocularis geminin 0.0192 0.069 0.5185
Trypanosoma brucei epsilon tubulin 0.0193 0.0691 0.4567
Brugia malayi bZIP transcription factor family protein 0.0085 0.0241 0.181
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0084 0.0234 0.1757
Brugia malayi Animal haem peroxidase family protein 0.0093 0.0274 0.206
Loa Loa (eye worm) tubulin beta chain 0.0345 0.1331 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0274 0.1035 0.7774
Echinococcus multilocularis protein patched 0.0057 0.0121 0.0909
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.0528
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0345 0.1331 1
Trichomonas vaginalis tubulin beta chain, putative 0.0345 0.1331 0.1225
Trichomonas vaginalis tubulin gamma chain, putative 0.0084 0.0234 0.0114
Loa Loa (eye worm) hypothetical protein 0.0191 0.0684 0.5138
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0122 0.0396 0.0971
Entamoeba histolytica tubulin alpha-1 chain 0.0274 0.1035 0.2483
Echinococcus multilocularis tubulin alpha 3 chain 0.0274 0.1035 0.7774
Brugia malayi Tubulin beta-1 chain 0.0345 0.1331 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0234 0.0114
Trichomonas vaginalis tubulin, putative 0.0109 0.034 0.0222
Echinococcus granulosus geminin 0.0192 0.069 0.5185
Loa Loa (eye worm) hypothetical protein 0.008 0.0217 0.1633
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0057 0.0121 0.0297
Trypanosoma brucei beta tubulin 0.0345 0.1331 1
Schistosoma mansoni rab6-interacting 0.0058 0.0125 0.0307
Echinococcus multilocularis Tubulin alpha 1 chain 0.0274 0.1035 0.7774
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0166 0.0578 0.0462
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0234 0.0114
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0142 0.1069
Echinococcus granulosus tubulin alpha 3 chain 0.0274 0.1035 0.7774
Trypanosoma cruzi tubulin delta chain 0.0084 0.0234 0.0686
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0121 0.0906
Schistosoma mansoni hypothetical protein 0.0192 0.069 0.1693
Brugia malayi Animal haem peroxidase family protein 0.0093 0.0274 0.206
Echinococcus multilocularis tubulin epsilon chain 0.0193 0.0691 0.5192
Echinococcus granulosus tubulin alpha 1C chain 0.0274 0.1035 0.7774
Echinococcus multilocularis protein dispatched 1 0.0057 0.0121 0.0909
Mycobacterium leprae Probable transmembrane transport protein 0.0467 0.1841 0.4183
Trypanosoma cruzi epsilon tubulin, putative 0.0193 0.0691 0.4567
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0142 0.1069
Loa Loa (eye worm) tubulin alpha 2 0.0191 0.0684 0.5138
Brugia malayi hypothetical protein 0.0058 0.0125 0.094
Echinococcus granulosus tubulin alpha 0.0193 0.0691 0.5192
Schistosoma mansoni peroxidasin 0.0093 0.0274 0.0673
Schistosoma mansoni alpha tubulin 0.0274 0.1035 0.2539
Loa Loa (eye worm) tubulin alpha chain 0.0274 0.1035 0.7774
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.0528
Trypanosoma brucei alpha tubulin 0.0274 0.1035 0.7484
Giardia lamblia Alpha-tubulin 0.0274 0.1035 0.7482
Echinococcus granulosus Tubulin alpha 1 chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.0274 0.206
Echinococcus granulosus lipoxygenase domain containing protein 0.0058 0.0125 0.094
Brugia malayi hypothetical protein 0.0172 0.0603 0.4528
Schistosoma mansoni carbonic anhydrase 0.0999 0.4075 1
Onchocerca volvulus 0.0404 0.1578 1
Schistosoma mansoni tubulin subunit beta 0.0345 0.1331 0.3266
Trypanosoma brucei beta tubulin 0.0345 0.1331 1
Onchocerca volvulus Chorion peroxidase homolog 0.0093 0.0274 0.1026
Echinococcus granulosus tubulin alpha chain 0.0274 0.1035 0.7774
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0512 0.203 0.2327
Trypanosoma brucei carbonic anhydrase-like protein 0.0122 0.0396 0.206
Onchocerca volvulus Dual oxidase homolog 0.0093 0.0274 0.1026
Giardia lamblia Beta tubulin 0.0345 0.1331 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0193 0.0691 0.5192
Echinococcus multilocularis tubulin alpha chain 0.0274 0.1035 0.7774
Schistosoma mansoni patched 1 0.0057 0.0121 0.0297
Echinococcus granulosus Niemann Pick C1 protein 0.0057 0.0121 0.0909
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Plasmodium vivax tubulin beta chain, putative 0.0345 0.1331 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0274 0.1035 0.0925
Trichomonas vaginalis tubulin beta chain, putative 0.0274 0.1035 0.0925
Echinococcus granulosus nuclear factor of activated T cells 5 0.0079 0.0217 0.1627
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0142 0.0349
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0138 0.0461 0.2612
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0138 0.0461 0.3462
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0122 0.0396 0.206
Loa Loa (eye worm) doublecortin family protein 0.0058 0.0125 0.094
Trypanosoma brucei zeta tubulin, putative 0.0084 0.0234 0.0686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.0172
Brugia malayi RNA binding protein 0.0062 0.0142 0.1069
Trypanosoma brucei epsilon tubulin 0.0193 0.0691 0.4567
Onchocerca volvulus Peroxidase homolog 0.0093 0.0274 0.1026
Loa Loa (eye worm) beta-tubulin 0.0345 0.1331 1
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0138 0.0461 0.0591
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0223 0.0817 0.6142
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0142 0.0349
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0138 0.0461 0.2612
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0142 0.1069
Echinococcus granulosus tubulin delta chain 0.0084 0.0234 0.1757
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Leishmania major gamma-tubulin 0.0193 0.0691 0.119
Trichomonas vaginalis tubulin gamma chain, putative 0.0193 0.0691 0.0577
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Trypanosoma cruzi zeta tubulin, putative 0.0084 0.0234 0.0686
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0138 0.0461 0.3462
Echinococcus granulosus tubulin subunit beta 0.0345 0.1331 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0193 0.0691 0.5192
Brugia malayi Blistered cuticle protein 3 0.0093 0.0274 0.206
Brugia malayi beta-tubulin, identical 0.0345 0.1331 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0345 0.1331 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0122 0.0396 0.2974
Loa Loa (eye worm) hypothetical protein 0.0058 0.0125 0.094
Brugia malayi Doublecortin family protein 0.0058 0.0125 0.094
Echinococcus multilocularis Tubulin beta 2C chain 0.0345 0.1331 1
Loa Loa (eye worm) BEN-1 protein 0.0345 0.1331 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0084 0.0234 0.0114
Trichomonas vaginalis tubulin, putative 0.0109 0.034 0.0222
Onchocerca volvulus Peroxidasin homolog 0.0093 0.0274 0.1026
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0079 0.0217 0.1627
Trichomonas vaginalis tubulin beta chain, putative 0.0274 0.1035 0.0925
Echinococcus multilocularis Tubulin beta 2C chain 0.0345 0.1331 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0142 0.0349
Echinococcus granulosus beta tubulin 0.0345 0.1331 1
Entamoeba histolytica tubulin alpha chain, putative 0.0274 0.1035 0.2483
Trichomonas vaginalis tubulin alpha chain, putative 0.0193 0.0691 0.0577
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Entamoeba histolytica tubulin family protein 0.0345 0.1331 0.3215
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0084 0.0234 0.1757
Trypanosoma brucei alpha tubulin 0.0274 0.1035 0.7484
Trypanosoma cruzi epsilon tubulin, putative 0.0193 0.0691 0.4567
Mycobacterium ulcerans carbonic anhydrase 0.0999 0.4075 0.3983
Echinococcus granulosus peroxisome assembly protein 26 0.0274 0.1035 0.7774
Schistosoma mansoni tubulin subunit epsilon 0.0193 0.0691 0.1696
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0138 0.0461 0.1131
Echinococcus multilocularis tubulin alpha 0.0193 0.0691 0.5192
Trypanosoma cruzi beta tubulin, putative 0.0345 0.1331 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0954 0.3886 0.4729
Trypanosoma brucei tubulin delta chain 0.0084 0.0234 0.0686
Brugia malayi MH2 domain containing protein 0.0136 0.0452 0.3393
Trichomonas vaginalis tubulin epsilon chain, putative 0.0345 0.1331 0.1225
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0057 0.0121 0.0909
Brugia malayi Tubulin alpha-2 chain 0.0274 0.1035 0.7774
Trypanosoma brucei epsilon tubulin 0.0193 0.0691 0.4567
Echinococcus multilocularis tubulin alpha chain 0.0274 0.1035 0.7774
Echinococcus granulosus tubulin beta 1 chain 0.0345 0.1331 1
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Loa Loa (eye worm) tubulin alpha 2 0.0082 0.0227 0.1704
Echinococcus granulosus sterol regulatory element binding protein 0.0057 0.0121 0.0909
Loa Loa (eye worm) RNA binding protein 0.0062 0.0142 0.1069
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0065 0.0154 0.0034
Echinococcus multilocularis Tubulin beta 2C chain 0.0345 0.1331 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0138 0.0461 0.0312
Plasmodium falciparum tubulin gamma chain 0.0193 0.0691 0.5192
Onchocerca volvulus 0.0093 0.0274 0.1026
Plasmodium vivax tubulin alpha chain, putative 0.0274 0.1035 0.7542
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Echinococcus granulosus tubulin alpha 3 chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) tubulin beta-1 chain 0.0345 0.1331 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0603 0.4528
Trichomonas vaginalis tubulin alpha chain, putative 0.0109 0.034 0.0222
Echinococcus multilocularis lipoxygenase domain containing protein 0.0058 0.0125 0.094
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Trichomonas vaginalis tubulin epsilon chain, putative 0.0345 0.1331 0.1225
Schistosoma mansoni hypothetical protein 0.007 0.0176 0.0433
Plasmodium vivax tubulin epsilon chain, putative 0.0193 0.0691 0.4693
Plasmodium falciparum alpha tubulin 1 0.0274 0.1035 0.7774
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0999 0.4075 1
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Brugia malayi Tubulin alpha-2 chain 0.0274 0.1035 0.7774
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0467 0.1841 0.2081
Giardia lamblia Beta tubulin 0.0345 0.1331 1
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Brugia malayi Tubulin beta chain 0.0084 0.0234 0.1757
Echinococcus multilocularis Tubulin beta 2C chain 0.0345 0.1331 1
Giardia lamblia Beta tubulin 0.0345 0.1331 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.0452 0.3393
Echinococcus granulosus jun protein 0.0085 0.0241 0.181
Echinococcus multilocularis carbonic anhydrase II 0.0122 0.0396 0.2974
Trypanosoma brucei zeta tubulin 0.0084 0.0234 0.0686
Plasmodium vivax sulfate transporter, putative 0.0064 0.0153 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.0528
Chlamydia trachomatis sulfate transporter 0.0064 0.0153 0.5
Brugia malayi Cell division protein ftsZ 0.0084 0.0234 0.1757
Brugia malayi Animal haem peroxidase family protein 0.0093 0.0274 0.206
Echinococcus granulosus beta tubulin 0.0345 0.1331 1
Trichomonas vaginalis tubulin, putative 0.0084 0.0234 0.0114
Echinococcus granulosus tubulin alpha chain 0.0274 0.1035 0.7774
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.007 0.0528
Trypanosoma brucei tubulin gamma chain 0.0193 0.0691 0.4567
Echinococcus multilocularis tubulin subunit TubB 0.0274 0.1035 0.7774
Onchocerca volvulus Putative sulfate transporter 0.0404 0.1578 1
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0084 0.0234 0.0114
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Trichomonas vaginalis tubulin alpha chain, putative 0.0109 0.034 0.0222
Echinococcus multilocularis Tubulin alpha 1 chain 0.0274 0.1035 0.7774
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Leishmania major beta tubulin 0.0345 0.1331 0.2856
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.003 0.0228
Entamoeba histolytica carbonic anhydrase, putative 0.0999 0.4075 1
Onchocerca volvulus 0.0109 0.034 0.1481
Plasmodium vivax tubulin alpha chain, putative 0.0274 0.1035 0.7542
Trypanosoma cruzi tubulin delta chain 0.0084 0.0234 0.0686
Echinococcus multilocularis RUN 0.0058 0.0125 0.094
Loa Loa (eye worm) BEN-1 protein 0.0345 0.1331 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0057 0.0121 0.0909
Echinococcus granulosus alpha tubulin 0.0274 0.1035 0.7774
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0065 0.0154 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.2412 1 1
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0064 0.0153 0.115
Echinococcus multilocularis beta tubulin 0.0345 0.1331 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0345 0.1331 1
Loa Loa (eye worm) animal heme peroxidase 0.0093 0.0274 0.206
Plasmodium falciparum tubulin delta chain, putative 0.0084 0.0234 0.1757
Echinococcus granulosus Polycystic kidney disease protein 0.0058 0.0125 0.094
Loa Loa (eye worm) hypothetical protein 0.0093 0.0274 0.206
Leishmania major alpha tubulin 0.0274 0.1035 0.2084
Schistosoma mansoni tubulin subunit alpha 0.0274 0.1035 0.2539
Loa Loa (eye worm) hypothetical protein 0.0274 0.1035 0.7774

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.24 nM Specific binding of [3H]-Ro-15-1788 to GABA-A Benzodiazepine receptor in rat cortex ChEMBL. 8388472
Ki (binding) = 0.05 nM Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric-acid A receptor in rat cerebellum. ChEMBL. 7752192
Ki (binding) = 0.12 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.17 nM Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.23 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 0.44 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2 ChEMBL. 10633039
Ki (binding) = 5.1 nM Binding affinity against Diazepam insensitive (DI) Gamma-aminobutyric-acid A receptor ChEMBL. 7752192
Ki (binding) = 17.3 nM Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha6-beta3-gamma2 ChEMBL. 10633039
Ratio (binding) = 1.1 Relative binding to GABA-A receptor in the presence and absence of GABA ChEMBL. 8388472

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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