Detailed information for compound 1393728

Basic information

Technical information
  • TDR Targets ID: 1393728
  • Name: 1-piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1 ,2,4-triazol-3-yl)sulfanyl]ethanone
  • MW: 310.458 | Formula: C15H26N4OS
  • H donors: 0 H acceptors: 3 LogP: 2.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(SCC(=O)N2CCCCC2)nnc1C(C)C
  • InChi: 1S/C15H26N4OS/c1-4-8-19-14(12(2)3)16-17-15(19)21-11-13(20)18-9-6-5-7-10-18/h12H,4-11H2,1-3H3
  • InChiKey: ZQEGICKHEVATFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)ethanone
  • 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]-1-(1-piperidyl)ethanone
  • 2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone
  • SMR000285383
  • ZINC00410485
  • ASN 05987929
  • Oprea1_510741
  • MLS000678251

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Tubulin beta 2C chain 0.1011 1 1
Echinococcus granulosus tubulin subunit TubB 0.0762 0.7417 0.741
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0025 0.0025
Trichomonas vaginalis tubulin, putative 0.0308 0.2706 0.2706
Echinococcus granulosus chromobox protein 1 0.0084 0.0384 0.0359
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Trichomonas vaginalis tubulin epsilon chain, putative 0.0762 0.7417 0.7417
Plasmodium vivax tubulin beta chain, putative 0.1011 1 1
Onchocerca volvulus 0.0308 0.2706 1
Echinococcus granulosus beta tubulin 0.1011 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0115 0.0699 0.0699
Plasmodium vivax tubulin alpha chain, putative 0.0762 0.7417 0.6681
Leishmania major beta tubulin 0.1011 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0384 0.0384
Echinococcus granulosus Tubulin beta 2C chain 0.1011 1 1
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Schistosoma mansoni tubulin subunit beta 0.0261 0.2216 0.22
Leishmania major beta tubulin 0.1011 1 1
Giardia lamblia Gamma tubulin 0.0621 0.596 0.595
Plasmodium falciparum tubulin beta chain 0.1011 1 1
Trypanosoma brucei polo-like protein kinase 0.0115 0.0699 0.0675
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0763 0.0744
Echinococcus granulosus tubulin subunit beta 0.1011 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0762 0.7417 0.741
Schistosoma mansoni tubulin subunit delta 0.0261 0.2216 0.22
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Echinococcus multilocularis tubulin subunit TubB 0.0762 0.7417 0.741
Trypanosoma brucei alpha tubulin 0.0762 0.7417 0.741
Echinococcus multilocularis tubulin alpha 1C chain 0.0762 0.7417 0.741
Entamoeba histolytica tubulin family protein 0.1011 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0762 0.7417 0.7417
Brugia malayi Tubulin beta chain 0.0261 0.2216 0.2216
Echinococcus multilocularis tubulin alpha 3 chain 0.0762 0.7417 0.741
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Leishmania major beta tubulin 0.1011 1 1
Plasmodium falciparum alpha tubulin 1 0.0762 0.7417 0.6681
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0587 0.56 0.5589
Trypanosoma brucei epsilon tubulin 0.0569 0.5412 0.54
Leishmania major beta tubulin 0.1011 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0762 0.7417 0.741
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0313 0.2756 0.2738
Loa Loa (eye worm) tubulin beta chain 0.1011 1 1
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Echinococcus granulosus beta tubulin 0.1011 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.1011 1 1
Schistosoma mansoni tubulin subunit beta 0.1011 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0501 0.4711 0.4711
Trichomonas vaginalis tubulin alpha chain, putative 0.0308 0.2706 0.2706
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.0699 0.0675
Leishmania major beta tubulin 0.1011 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0762 0.7417 0.741
Loa Loa (eye worm) tubulin beta-1 chain 0.1011 1 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0384 0.0359
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0308 0.2706 0.2706
Trypanosoma brucei alpha tubulin 0.0762 0.7417 0.741
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Echinococcus multilocularis Tubulin beta 2C chain 0.1011 1 1
Schistosoma mansoni tubulin subunit alpha 0.0762 0.7417 0.7412
Schistosoma mansoni hypothetical protein 0.0205 0.1634 0.1617
Trichomonas vaginalis tubulin epsilon chain, putative 0.1011 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1274 0.1252
Trypanosoma cruzi epsilon tubulin, putative 0.0621 0.5952 0.5941
Entamoeba histolytica tubulin alpha chain, putative 0.0762 0.7417 0.7223
Loa Loa (eye worm) alpha-tubulin 0.0762 0.7417 0.7417
Plasmodium vivax tubulin alpha chain, putative 0.0762 0.7417 0.6681
Brugia malayi Tubulin alpha-2 chain 0.0762 0.7417 0.7417
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0384 0.0384
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.0699 0.0675
Echinococcus multilocularis geminin 0.0205 0.1634 0.1613
Echinococcus granulosus Tubulin alpha 1 chain 0.0762 0.7417 0.741
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0762 0.7417 0.7417
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0025 0.0025
Echinococcus multilocularis Tubulin alpha 1 chain 0.0762 0.7417 0.741
Echinococcus multilocularis tubulin alpha chain 0.0762 0.7417 0.741
Trypanosoma cruzi epsilon tubulin, putative 0.0621 0.5952 0.5941
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0261 0.2216 0.2216
Echinococcus granulosus peroxisome assembly protein 26 0.0762 0.7417 0.741
Brugia malayi Tubulin gamma chain 0.0621 0.596 0.596
Echinococcus granulosus alpha tubulin 0.0762 0.7417 0.741
Loa Loa (eye worm) tubulin alpha-2 chain 0.0762 0.7417 0.7417
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0037 0.0037
Loa Loa (eye worm) tubulin beta chain 0.0261 0.2216 0.2216
Loa Loa (eye worm) tubulin alpha 2 0.0193 0.1516 0.1516
Schistosoma mansoni tubulin subunit beta 0.1011 1 1
Loa Loa (eye worm) hypothetical protein 0.0454 0.4221 0.4221
Trichomonas vaginalis tubulin, putative 0.0308 0.2706 0.2706
Trichomonas vaginalis tubulin beta chain, putative 0.0308 0.2706 0.2706
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Trypanosoma cruzi tubulin gamma chain 0.0621 0.596 0.595
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Echinococcus multilocularis tubulin alpha chain 0.0762 0.7417 0.741
Loa Loa (eye worm) hypothetical protein 0.0062 0.0159 0.0159
Giardia lamblia Beta tubulin 0.1011 1 1
Leishmania major delta tubulin, putative 0.0587 0.56 0.5589
Trichomonas vaginalis tubulin, putative 0.0314 0.2764 0.2764
Echinococcus multilocularis tubulin gamma 1 chain 0.0621 0.596 0.595
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0115 0.0699 0.0675
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9673 0.9672
Trypanosoma cruzi zeta tubulin, putative 0.0806 0.7874 0.7868
Brugia malayi MAP kinase sur-1 0.005 0.0025 0.0025
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0115 0.0699 0.0675
Echinococcus granulosus tubulin epsilon chain 0.0621 0.5952 0.5941
Brugia malayi serine/threonine-protein kinase plk-2 0.0115 0.0699 0.0699
Echinococcus granulosus tubulin alpha chain 0.0762 0.7417 0.741
Echinococcus granulosus tubulin delta chain 0.0261 0.2216 0.2197
Giardia lamblia Kinase, PLK 0.0115 0.0699 0.0675
Leishmania major beta tubulin 0.1011 1 1
Trypanosoma brucei alpha tubulin, putative 0.0308 0.2706 0.2688
Trypanosoma cruzi zeta tubulin, putative 0.0806 0.7874 0.7868
Brugia malayi tubulin alpha-2 chain 0.0762 0.7417 0.7417
Brugia malayi Heterochromatin protein 1 0.0084 0.0384 0.0384
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Brugia malayi Tubulin beta chain 0.0308 0.2706 0.2706
Plasmodium vivax tubulin epsilon chain, putative 0.0621 0.5952 0.4799
Trypanosoma brucei tubulin gamma chain 0.0621 0.596 0.595
Giardia lamblia Delta tubulin 0.0261 0.2216 0.2197
Echinococcus multilocularis tubulin alpha chain 0.0762 0.7417 0.741
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0744 0.0721
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0569 0.5412 0.54
Loa Loa (eye worm) tubulin beta-4 chain 0.1011 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0308 0.2706 0.2706
Echinococcus granulosus expressed conserved protein 0.0112 0.067 0.0646
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.0699 0.0679
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0025 0.0025
Echinococcus multilocularis Tubulin beta 2C chain 0.1011 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0115 0.0699 0.2583
Echinococcus granulosus tubulin beta 1 chain 0.1011 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0454 0.4221 0.4221
Toxoplasma gondii tubulin, putative 0.0052 0.005 0.0025
Echinococcus multilocularis chromobox protein 1 0.0084 0.0384 0.0359
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0101 0.0101
Echinococcus granulosus Protein patched homolog 1 0.0051 0.004 0.0015
Leishmania major beta tubulin 0.1011 1 1
Echinococcus multilocularis tubulin alpha chain 0.0762 0.7417 0.741
Loa Loa (eye worm) tubulin beta-2A chain 0.1011 1 1
Echinococcus multilocularis protein dispatched 1 0.0058 0.0115 0.009
Toxoplasma gondii beta-1 tubulin, putative 0.1011 1 1
Treponema pallidum cell division protein FtsZ 0.0261 0.2216 0.5
Trypanosoma cruzi beta tubulin, putative 0.1011 1 1
Leishmania major beta tubulin 0.1011 1 1
Schistosoma mansoni tubulin subunit beta 0.1011 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0037 0.0137
Echinococcus granulosus tubulin alpha chain 0.0762 0.7417 0.741
Brugia malayi beta-tubulin, identical 0.1011 1 1
Loa Loa (eye worm) alpha-tubulin 0.0762 0.7417 0.7417
Entamoeba histolytica tubulin family protein 0.1011 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0762 0.7417 0.741
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0261 0.2216 0.5
Toxoplasma gondii beta tubulin 0.1011 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0037 0.0037
Loa Loa (eye worm) beta-tubulin 0.1011 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.004 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0261 0.2216 0.2216
Trichomonas vaginalis tubulin epsilon chain, putative 0.1011 1 1
Echinococcus multilocularis beta tubulin 0.1011 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0762 0.7417 0.741
Echinococcus multilocularis protein patched 0.0051 0.004 0.0015
Echinococcus multilocularis Tubulin beta 2C chain 0.1011 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0115 0.0699 0.0675
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Giardia lamblia Beta tubulin 0.1011 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0261 0.2216 0.5
Schistosoma mansoni tubulin subunit epsilon 0.0621 0.5952 0.5943
Trichomonas vaginalis tubulin epsilon chain, putative 0.0261 0.2216 0.2216
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0025 0.0004
Trypanosoma cruzi tubulin delta chain 0.0587 0.56 0.5589
Trypanosoma brucei beta tubulin 0.1011 1 1
Leishmania major gamma-tubulin 0.0621 0.596 0.595
Echinococcus multilocularis tubulin delta chain 0.0261 0.2216 0.2197
Echinococcus multilocularis tubulin subunit beta 0.1011 1 1
Echinococcus multilocularis beta tubulin 0.1011 1 1
Schistosoma mansoni tubulin subunit beta 0.1011 1 1
Echinococcus multilocularis tubulin epsilon chain 0.0621 0.5952 0.5941
Loa Loa (eye worm) tubulin alpha chain 0.0762 0.7417 0.7417
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.004 0.004
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.004 0.0015
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0744 0.0049
Mycobacterium tuberculosis Cell division protein FtsZ 0.0261 0.2216 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0762 0.7417 0.7417
Schistosoma mansoni chromobox protein 0.0084 0.0384 0.0363
Trypanosoma brucei beta tubulin 0.1011 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0101 0.0101
Plasmodium falciparum alpha tubulin 2 0.0762 0.7417 0.6681
Echinococcus granulosus tubulin alpha chain 0.0762 0.7417 0.741
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1274 0.1252
Schistosoma mansoni hypothetical protein 0.0205 0.1634 0.1617
Loa Loa (eye worm) tubulin gamma chain 0.0621 0.596 0.596
Echinococcus granulosus Tubulin beta 2C chain 0.1011 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0261 0.2216 0.2216
Brugia malayi Tubulin alpha chain 0.0261 0.2216 0.2216
Brugia malayi alpha-tubulin 0.0762 0.7417 0.7417
Echinococcus granulosus tubulin alpha chain 0.0762 0.7417 0.741
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0025 0.0025
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0025 0.0025
Schistosoma mansoni tubulin subunit alpha 0.0261 0.2216 0.22
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Schistosoma mansoni kinase 0.0058 0.0117 0.0096
Echinococcus granulosus tubulin alpha 1C chain 0.0762 0.7417 0.741
Schistosoma mansoni alpha tubulin 0.0762 0.7417 0.7412
Echinococcus multilocularis hypothetical protein 0.0762 0.7417 0.741
Schistosoma mansoni tubulin subunit beta 0.1011 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0762 0.7417 0.7417
Trichomonas vaginalis tubulin alpha chain, putative 0.1011 1 1
Giardia lamblia Alpha-tubulin 0.0762 0.7417 0.741
Leishmania major beta tubulin 0.1011 1 1
Loa Loa (eye worm) hypothetical protein 0.0762 0.7417 0.7417
Trichomonas vaginalis tubulin epsilon chain, putative 0.0762 0.7417 0.7417
Echinococcus multilocularis peroxisome assembly protein 26 0.0762 0.7417 0.741
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0744 0.0744
Leishmania major beta tubulin 0.1011 1 1
Schistosoma mansoni patched 1 0.0051 0.004 0.0019
Echinococcus granulosus tubulin alpha chain 0.0762 0.7417 0.741
Trichomonas vaginalis tubulin beta chain, putative 0.0762 0.7417 0.7417
Plasmodium falciparum tubulin gamma chain 0.0621 0.596 0.4809
Leishmania major beta tubulin 0.1011 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0762 0.7417 0.741
Brugia malayi Cell division protein ftsZ 0.0261 0.2216 0.2216
Plasmodium falciparum tubulin epsilon chain, putative 0.0621 0.5952 0.4799
Trypanosoma brucei zeta tubulin 0.0806 0.7874 0.7868
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Trichomonas vaginalis tubulin alpha chain, putative 0.0308 0.2706 0.2706
Trichomonas vaginalis tubulin, putative 0.1011 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0762 0.7417 0.741
Echinococcus multilocularis tubulin alpha 0.0569 0.5412 0.54
Trichomonas vaginalis tubulin gamma chain, putative 0.0621 0.596 0.596
Leishmania major beta tubulin 0.1011 1 1
Echinococcus multilocularis expressed conserved protein 0.0112 0.067 0.0646
Trichomonas vaginalis tubulin beta chain, putative 0.0762 0.7417 0.7417
Trypanosoma brucei beta tubulin 0.1011 1 1
Brugia malayi tubulin alpha chain - mouse 0.0762 0.7417 0.7417
Trypanosoma brucei epsilon tubulin 0.0621 0.5952 0.5941
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Giardia lamblia Alpha-tubulin 0.0762 0.7417 0.741
Echinococcus granulosus geminin 0.0205 0.1634 0.1613
Trichomonas vaginalis tubulin beta chain, putative 0.1011 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0569 0.5412 0.5412
Trichomonas vaginalis tubulin gamma chain, putative 0.0621 0.5952 0.5952
Trypanosoma brucei zeta tubulin, putative 0.0806 0.7874 0.7868
Trypanosoma brucei tubulin delta chain 0.0587 0.56 0.5589
Giardia lamblia Beta tubulin 0.1011 1 1
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Giardia lamblia Epsilon tubulin 0.0313 0.2756 0.2738
Loa Loa (eye worm) hypothetical protein 0.0501 0.4711 0.4711
Loa Loa (eye worm) tubulin alpha 2 0.0501 0.4711 0.4711
Loa Loa (eye worm) tubulin alpha 2 0.0501 0.4711 0.4711
Echinococcus granulosus tubulin beta 4A class IVa 0.1011 1 1
Loa Loa (eye worm) BEN-1 protein 0.1011 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0762 0.7417 0.741
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1011 1 1
Brugia malayi Tubulin alpha chain 0.0762 0.7417 0.7417
Echinococcus granulosus tubulin gamma 1 chain 0.0621 0.596 0.595
Leishmania major beta tubulin 0.1011 1 1
Schistosoma mansoni alpha tubulin 0.0762 0.7417 0.7412
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0501 0.4711 0.4711
Trypanosoma cruzi tubulin delta chain 0.0587 0.56 0.5589
Echinococcus multilocularis Tubulin beta 2C chain 0.1011 1 1
Schistosoma mansoni tubulin subunit beta 0.1011 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0744 0.0721
Leishmania major epsilon tubulin, putative 0.0621 0.5952 0.5941
Echinococcus granulosus Tubulin beta 2C chain 0.1011 1 1
Leishmania major beta tubulin 0.1011 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0762 0.7417 0.741
Brugia malayi CHE-14 protein 0.0051 0.004 0.004
Schistosoma mansoni tubulin subunit alpha 0.0762 0.7417 0.7412
Echinococcus multilocularis tubulin alpha chain 0.0762 0.7417 0.741
Mycobacterium leprae cell division protein FtsZ 0.0261 0.2216 0.5
Leishmania major beta tubulin 0.1011 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1011 1 1
Schistosoma mansoni tubulin subunit alpha 0.0762 0.7417 0.7412
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.0699 0.0699
Entamoeba histolytica tubulin alpha-1 chain 0.0762 0.7417 0.7223
Trypanosoma brucei beta tubulin 0.1011 1 1
Trypanosoma brucei alpha tubulin 0.0762 0.7417 0.741
Schistosoma mansoni chromobox protein 0.0084 0.0384 0.0363
Leishmania major zeta tubulin, putative 0.0806 0.7874 0.7868
Echinococcus granulosus chromobox protein 1 0.0084 0.0384 0.0359
Loa Loa (eye worm) hypothetical protein 0.0051 0.004 0.004
Echinococcus granulosus tubulin alpha 0.0569 0.5412 0.54
Trypanosoma brucei alpha tubulin 0.0762 0.7417 0.741
Leishmania major beta tubulin 0.1011 1 1
Entamoeba histolytica tubulin gamma chain 0.0621 0.596 0.5656
Toxoplasma gondii alpha tubulin TUBA1 0.0762 0.7417 0.741
Echinococcus multilocularis Tubulin alpha 1 chain 0.0762 0.7417 0.741
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0454 0.4221 0.4221
Brugia malayi Tubulin alpha-2 chain 0.0762 0.7417 0.7417
Leishmania major beta tubulin 0.1011 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0762 0.7417 0.7417
Schistosoma mansoni tubulin subunit gamma 0.0621 0.596 0.5951
Loa Loa (eye worm) hypothetical protein 0.0119 0.0744 0.0744
Toxoplasma gondii beta-tubulin, putative 0.1011 1 1
Schistosoma mansoni alpha tubulin 0.0762 0.7417 0.7412
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0384 0.0384
Trichomonas vaginalis tubulin gamma chain, putative 0.1011 1 1
Trypanosoma brucei epsilon tubulin 0.0621 0.5952 0.5941
Echinococcus granulosus Tubulin beta 2C chain 0.1011 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0762 0.7417 0.741
Plasmodium vivax tubulin gamma chain, putative 0.0621 0.596 0.4809
Trichomonas vaginalis tubulin gamma chain, putative 0.0261 0.2216 0.2216
Loa Loa (eye worm) BEN-1 protein 0.1011 1 1
Leishmania major beta tubulin 0.1011 1 1
Leishmania major alpha tubulin 0.0762 0.7417 0.741
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.004 0.0015
Trichomonas vaginalis tubulin beta chain, putative 0.0762 0.7417 0.7417
Trypanosoma brucei beta tubulin 0.0569 0.5412 0.54

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.92 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.6213 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

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

No literature references available for this target.

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