Detailed information for compound 19599

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 669.638 | Formula: C35H42Cl2N4O5
  • H donors: 4 H acceptors: 4 LogP: 6.45 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@@H]([C@@H](C[C@@H](Cc1ccccc1)NC(=O)[C@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1)COc1c(Cl)cccc1Cl
  • InChi: 1S/C35H42Cl2N4O5/c1-23(2)32(41-18-10-17-38-35(41)45)34(44)39-26(19-24-11-5-3-6-12-24)21-30(42)29(20-25-13-7-4-8-14-25)40-31(43)22-46-33-27(36)15-9-16-28(33)37/h3-9,11-16,23,26,29-30,32,42H,10,17-22H2,1-2H3,(H,38,45)(H,39,44)(H,40,43)/t26-,29-,30-,32-/m1/s1
  • InChiKey: WKYDZAXOBNGYSS-BNXUFIDZSA-N  

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
Echinococcus granulosus tubulin alpha chain 0.024 0.6642 0.6535
Echinococcus multilocularis Tubulin alpha 1 chain 0.024 0.6642 0.6535
Brugia malayi Cell division protein ftsZ 0.0078 0.1706 0.1637
Trypanosoma cruzi alpha tubulin, putative 0.024 0.6642 0.6614
Entamoeba histolytica tubulin alpha-1 chain 0.024 0.6642 0.6115
Trypanosoma cruzi DNA topoisomerase II, putative 0.006 0.1154 0.108
Leishmania major beta tubulin 0.035 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.035 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0179 0.4797 0.398
Trichomonas vaginalis tubulin epsilon chain, putative 0.035 1 1
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Schistosoma mansoni tubulin subunit gamma 0.0179 0.4797 0.4631
Trypanosoma brucei tubulin gamma chain 0.0179 0.4797 0.4754
Echinococcus granulosus tubulin alpha 0.0179 0.4797 0.4631
Echinococcus granulosus Tubulin beta 2C chain 0.035 1 1
Giardia lamblia Beta tubulin 0.035 1 1
Echinococcus multilocularis tubulin alpha chain 0.024 0.6642 0.6535
Trypanosoma brucei beta tubulin 0.035 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0309 0.0228
Trypanosoma cruzi tubulin gamma chain 0.0179 0.4797 0.4754
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0309 0.181
Entamoeba histolytica tubulin family protein 0.035 1 1
Echinococcus multilocularis tubulin alpha chain 0.024 0.6642 0.6535
Trichomonas vaginalis tubulin alpha chain, putative 0.0101 0.2425 0.1236
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0309 0.0309
Echinococcus granulosus Tubulin beta 2C chain 0.035 1 1
Schistosoma mansoni tubulin subunit beta 0.035 1 1
Brugia malayi Tubulin beta chain 0.0078 0.1706 0.1637
Brugia malayi MH2 domain containing protein 0.0241 0.6697 0.6669
Echinococcus granulosus Tubulin beta 2C chain 0.035 1 1
Loa Loa (eye worm) tubulin alpha chain 0.024 0.6642 0.6614
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.006 0.1154 0.108
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Plasmodium vivax tubulin beta chain, putative 0.035 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.024 0.6642 0.6115
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0309 0.0309
Loa Loa (eye worm) tubulin beta-4 chain 0.035 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0179 0.4797 0.398
Trichomonas vaginalis tubulin alpha chain, putative 0.0101 0.2425 0.1236
Trypanosoma brucei alpha tubulin 0.024 0.6642 0.6614
Brugia malayi beta-tubulin, identical 0.035 1 1
Trichomonas vaginalis tubulin, putative 0.0101 0.2425 0.1236
Echinococcus granulosus beta tubulin 0.035 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.024 0.6642 0.6115
Trypanosoma cruzi beta tubulin, putative 0.035 1 1
Schistosoma mansoni alpha tubulin 0.024 0.6642 0.6535
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0309 0.0228
Echinococcus multilocularis tubulin delta chain 0.0078 0.1706 0.1442
Echinococcus granulosus tubulin alpha chain 0.024 0.6642 0.6535
Plasmodium vivax DNA topoisomerase II, putative 0.0066 0.1357 0.1357
Entamoeba histolytica tubulin alpha chain, putative 0.024 0.6642 0.6115
Echinococcus multilocularis Tubulin beta 2C chain 0.035 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0229 0.0147
Entamoeba histolytica hypothetical protein 0.0073 0.1553 0.0227
Echinococcus multilocularis tubulin subunit beta 0.035 1 1
Brugia malayi Tubulin alpha chain 0.024 0.6642 0.6614
Leishmania major beta tubulin 0.035 1 1
Giardia lamblia Epsilon tubulin 0.0078 0.1706 0.0502
Echinococcus multilocularis tubulin alpha 3 chain 0.024 0.6642 0.6535
Loa Loa (eye worm) tubulin alpha-3 chain 0.0138 0.3551 0.3497
Schistosoma mansoni tubulin subunit epsilon 0.0179 0.4797 0.4631
Trichomonas vaginalis tubulin alpha chain, putative 0.0101 0.2425 0.1236
Trypanosoma brucei alpha tubulin 0.024 0.6642 0.6614
Treponema pallidum cell division protein FtsZ 0.0078 0.1706 1
Plasmodium vivax tubulin alpha chain, putative 0.024 0.6642 0.6642
Leishmania major beta tubulin 0.035 1 1
Echinococcus granulosus tubulin delta chain 0.0078 0.1706 0.1442
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0309 0.0228
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1553 0.1284
Loa Loa (eye worm) hypothetical protein 0.0044 0.0692 0.0614
Toxoplasma gondii alpha-tubulin I, putative 0.024 0.6642 0.6642
Echinococcus granulosus tubulin gamma 1 chain 0.0179 0.4797 0.4631
Echinococcus granulosus tubulin subunit TubB 0.024 0.6642 0.6535
Trichomonas vaginalis tubulin, putative 0.035 1 1
Trypanosoma brucei beta tubulin 0.0179 0.4797 0.4754
Giardia lamblia Delta tubulin 0.0078 0.1706 0.0502
Brugia malayi alpha-tubulin 0.024 0.6642 0.6614
Echinococcus granulosus tubulin epsilon chain 0.0179 0.4797 0.4631
Echinococcus multilocularis Tubulin alpha 1 chain 0.024 0.6642 0.6535
Trichomonas vaginalis tubulin beta chain, putative 0.024 0.6642 0.6115
Loa Loa (eye worm) tubulin beta-2A chain 0.035 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1706 0.0404
Echinococcus multilocularis beta tubulin 0.035 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0078 0.1706 1
Schistosoma mansoni hypothetical protein 0.0343 0.9784 0.9777
Entamoeba histolytica tubulin gamma chain 0.0179 0.4797 0.398
Plasmodium falciparum DNA topoisomerase 2 0.0066 0.1357 0.1357
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0083 0.0083
Trypanosoma brucei epsilon tubulin 0.0179 0.4797 0.4754
Trypanosoma brucei beta tubulin 0.035 1 1
Schistosoma mansoni alpha tubulin 0.024 0.6642 0.6535
Echinococcus multilocularis tubulin alpha chain 0.024 0.6642 0.6535
Leishmania major beta tubulin 0.035 1 1
Plasmodium falciparum alpha tubulin 2 0.024 0.6642 0.6642
Trichomonas vaginalis tubulin epsilon chain, putative 0.024 0.6642 0.6115
Mycobacterium leprae cell division protein FtsZ 0.0078 0.1706 0.5
Echinococcus multilocularis tubulin alpha 0.0179 0.4797 0.4631
Leishmania major zeta tubulin, putative 0.0078 0.1706 0.1637
Echinococcus granulosus tubulin alpha 1C chain 0.024 0.6642 0.6535
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0309 0.0228
Leishmania major beta tubulin 0.035 1 1
Trypanosoma brucei DNA topoisomerase ii 0.0052 0.0925 0.0849
Brugia malayi hypothetical protein 0.0073 0.1553 0.1483
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0309 0.0228
Entamoeba histolytica hypothetical protein 0.0073 0.1553 0.0227
Loa Loa (eye worm) tubulin alpha 2 0.0162 0.427 0.4222
Brugia malayi tubulin alpha-2 chain 0.024 0.6642 0.6614
Plasmodium falciparum tubulin beta chain 0.035 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0066 0.1357 0.1285
Leishmania major beta tubulin 0.035 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0078 0.1706 0.1706
Trichomonas vaginalis tubulin alpha chain, putative 0.035 1 1
Schistosoma mansoni tubulin subunit beta 0.035 1 1
Leishmania major beta tubulin 0.035 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0179 0.4797 0.4754
Loa Loa (eye worm) hypothetical protein 0.0138 0.3551 0.3497
Trichomonas vaginalis tubulin gamma chain, putative 0.0179 0.4797 0.398
Loa Loa (eye worm) tubulin alpha chain 0.024 0.6642 0.6614
Echinococcus multilocularis Tubulin beta 2C chain 0.035 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0309 0.0228
Echinococcus granulosus tubulin beta 4A class IVa 0.035 1 1
Trypanosoma brucei alpha tubulin, putative 0.0101 0.2425 0.2362
Trypanosoma brucei tubulin delta chain 0.0078 0.1706 0.1637
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0052 0.0925 0.0849
Onchocerca volvulus 0.0101 0.2425 1
Leishmania major gamma-tubulin 0.0179 0.4797 0.4754
Leishmania major beta tubulin 0.035 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0162 0.427 0.4222
Schistosoma mansoni DNA topoisomerase II 0.0066 0.1357 0.1082
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Leishmania major beta tubulin 0.035 1 1
Trypanosoma brucei alpha tubulin 0.024 0.6642 0.6614
Plasmodium vivax tubulin gamma chain, putative 0.0179 0.4797 0.4797
Trypanosoma cruzi epsilon tubulin, putative 0.0179 0.4797 0.4754
Trypanosoma cruzi zeta tubulin, putative 0.0078 0.1706 0.1637
Loa Loa (eye worm) BEN-1 protein 0.035 1 1
Loa Loa (eye worm) TOPoisomerase family member 0.0066 0.1357 0.1285
Loa Loa (eye worm) hypothetical protein 0.0044 0.0692 0.0614
Brugia malayi Probable DNA topoisomerase II 0.0066 0.1357 0.1285
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.6697 0.6669
Leishmania major beta tubulin 0.035 1 1
Trypanosoma brucei beta tubulin 0.035 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.024 0.6642 0.6535
Loa Loa (eye worm) hypothetical protein 0.0029 0.0229 0.0147
Entamoeba histolytica hypothetical protein 0.0073 0.1553 0.0227
Giardia lamblia Alpha-tubulin 0.024 0.6642 0.6154
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1553 0.1284
Echinococcus multilocularis tubulin alpha 1C chain 0.024 0.6642 0.6535
Schistosoma mansoni tubulin subunit beta 0.0078 0.1706 0.1442
Loa Loa (eye worm) alpha-tubulin 0.024 0.6642 0.6614
Trichomonas vaginalis tubulin epsilon chain, putative 0.024 0.6642 0.6115
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Echinococcus granulosus geminin 0.0343 0.9784 0.9777
Trichomonas vaginalis tubulin beta chain, putative 0.035 1 1
Loa Loa (eye worm) hypothetical protein 0.024 0.6642 0.6614
Echinococcus granulosus tubulin subunit beta 0.035 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0179 0.4797 0.4797
Echinococcus multilocularis tubulin alpha chain 0.024 0.6642 0.6535
Echinococcus multilocularis tubulin, beta 4A class IVa 0.035 1 1
Schistosoma mansoni hypothetical protein 0.0073 0.1553 0.1284
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0083 0.0083
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0083 0.0083
Plasmodium vivax tubulin alpha chain, putative 0.024 0.6642 0.6642
Giardia lamblia Gamma tubulin 0.0179 0.4797 0.4042
Chlamydia trachomatis DNA gyrase subunit B 0.0036 0.0432 1
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0309 0.0309
Schistosoma mansoni tubulin subunit alpha 0.0078 0.1706 0.1442
Echinococcus granulosus tubulin alpha chain 0.024 0.6642 0.6535
Echinococcus granulosus alpha tubulin 0.024 0.6642 0.6535
Leishmania major beta tubulin 0.035 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0052 0.0925 0.0849
Trypanosoma brucei zeta tubulin, putative 0.0078 0.1706 0.1637
Echinococcus granulosus Tubulin alpha 1 chain 0.024 0.6642 0.6535
Plasmodium vivax tubulin epsilon chain, putative 0.0179 0.4797 0.4797
Echinococcus multilocularis tubulin beta 1 chain 0.035 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.024 0.6642 0.6115
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Loa Loa (eye worm) alpha-tubulin 0.024 0.6642 0.6614
Loa Loa (eye worm) tubulin beta chain 0.0078 0.1706 0.1637
Loa Loa (eye worm) BEN-1 protein 0.035 1 1
Trypanosoma brucei alpha tubulin 0.024 0.6642 0.6614
Leishmania major epsilon tubulin, putative 0.0179 0.4797 0.4754
Leishmania major beta tubulin 0.035 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1706 0.0404
Brugia malayi Tubulin gamma chain 0.0179 0.4797 0.4754
Brugia malayi Tubulin alpha chain 0.0078 0.1706 0.1637
Brugia malayi Tubulin alpha-2 chain 0.024 0.6642 0.6614
Toxoplasma gondii beta tubulin 0.035 1 1
Trichomonas vaginalis tubulin, putative 0.0078 0.1706 0.0404
Toxoplasma gondii beta-1 tubulin, putative 0.035 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.024 0.6642 0.6535
Echinococcus multilocularis beta tubulin 0.035 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.024 0.6642 0.6535
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0309 0.0228
Leishmania major beta tubulin 0.035 1 1
Trypanosoma brucei epsilon tubulin 0.0179 0.4797 0.4754
Echinococcus multilocularis hypothetical protein 0.024 0.6642 0.6535
Brugia malayi Tubulin alpha-2 chain 0.024 0.6642 0.6614
Trypanosoma brucei epsilon tubulin 0.0179 0.4797 0.4754
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Echinococcus granulosus tubulin alpha 1C chain 0.024 0.6642 0.6535
Leishmania major beta tubulin 0.035 1 1
Loa Loa (eye worm) tubulin beta chain 0.035 1 1
Giardia lamblia Alpha-tubulin 0.024 0.6642 0.6154
Echinococcus granulosus tubulin alpha chain 0.024 0.6642 0.6535
Schistosoma mansoni hypothetical protein 0.0343 0.9784 0.9777
Echinococcus multilocularis Tubulin beta 2C chain 0.035 1 1
Entamoeba histolytica tubulin family protein 0.035 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0179 0.4797 0.4754
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0066 0.1357 0.1285
Plasmodium falciparum tubulin delta chain, putative 0.0078 0.1706 0.1706
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Loa Loa (eye worm) tubulin alpha 2 0.006 0.1179 0.1106
Brugia malayi Tubulin beta chain 0.0101 0.2425 0.2362
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0138 0.3551 0.2538
Leishmania major mitochondrial DNA topoisomerase II 0.0052 0.0925 0.0849
Echinococcus granulosus beta tubulin 0.035 1 1
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Trypanosoma brucei beta tubulin 0.035 1 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0066 0.1357 0.1357
Echinococcus multilocularis tubulin subunit TubB 0.024 0.6642 0.6535
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0066 0.1357 0.1082
Schistosoma mansoni alpha tubulin 0.024 0.6642 0.6535
Trypanosoma cruzi DNA topoisomerase II, putative 0.006 0.1154 0.108
Leishmania major beta tubulin 0.035 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0179 0.4797 0.4797
Leishmania major DNA topoisomerase ii 0.006 0.1154 0.108
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0101 0.2425 0.1236
Leishmania major beta tubulin 0.035 1 1
Schistosoma mansoni tubulin subunit alpha 0.024 0.6642 0.6535
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0078 0.1706 1
Trypanosoma cruzi tubulin delta chain 0.0078 0.1706 0.1637
Trichomonas vaginalis tubulin beta chain, putative 0.024 0.6642 0.6115
Trichomonas vaginalis tubulin beta chain, putative 0.024 0.6642 0.6115
Loa Loa (eye worm) beta-tubulin 0.035 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0078 0.1706 0.1706
Trichomonas vaginalis tubulin, putative 0.0101 0.2425 0.1236
Schistosoma mansoni tubulin subunit delta 0.0078 0.1706 0.1442
Entamoeba histolytica hypothetical protein 0.0073 0.1553 0.0227
Echinococcus granulosus Tubulin beta 2C chain 0.035 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.035 1 1
Leishmania major delta tubulin, putative 0.0078 0.1706 0.1637
Trichomonas vaginalis tubulin beta chain, putative 0.0101 0.2425 0.1236
Mycobacterium tuberculosis Cell division protein FtsZ 0.0078 0.1706 1
Echinococcus multilocularis tubulin epsilon chain 0.0179 0.4797 0.4631
Brugia malayi isocitrate dehydrogenase 0.0032 0.0309 0.0228
Trichomonas vaginalis tubulin gamma chain, putative 0.0078 0.1706 0.0404
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.024 0.6642 0.6115
Echinococcus granulosus tubulin alpha 3 chain 0.024 0.6642 0.6535
Trypanosoma cruzi zeta tubulin, putative 0.0078 0.1706 0.1637
Trichomonas vaginalis tubulin gamma chain, putative 0.035 1 1
Schistosoma mansoni tubulin subunit beta 0.035 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.006 0.1154 0.108
Loa Loa (eye worm) tubulin alpha 2 0.0162 0.427 0.4222
Schistosoma mansoni tubulin subunit beta 0.035 1 1
Plasmodium falciparum tubulin gamma chain 0.0179 0.4797 0.4797
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0083 0.0083
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0066 0.1357 0.1082
Echinococcus granulosus tubulin beta 1 chain 0.035 1 1
Plasmodium vivax delta tubulin, putative 0.0078 0.1706 0.1706
Echinococcus multilocularis geminin 0.0343 0.9784 0.9777
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.6697 0.6669
Brugia malayi tubulin alpha chain - mouse 0.024 0.6642 0.6614
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0309 0.0309
Schistosoma mansoni tubulin subunit beta 0.035 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.024 0.6642 0.6535
Echinococcus multilocularis Tubulin beta 2C chain 0.035 1 1
Leishmania major beta tubulin 0.035 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0078 0.1706 0.0404
Loa Loa (eye worm) hypothetical protein 0.0162 0.427 0.4222
Echinococcus granulosus tubulin alpha chain 0.024 0.6642 0.6535
Toxoplasma gondii alpha tubulin TUBA1 0.024 0.6642 0.6642
Toxoplasma gondii beta-tubulin, putative 0.035 1 1
Schistosoma mansoni tubulin subunit alpha 0.024 0.6642 0.6535
Echinococcus granulosus peroxisome assembly protein 26 0.024 0.6642 0.6535
Schistosoma mansoni tubulin subunit alpha 0.024 0.6642 0.6535
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1553 0.1284
Schistosoma mansoni tubulin subunit beta 0.035 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.024 0.6642 0.6614
Leishmania major alpha tubulin 0.024 0.6642 0.6614
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0162 0.427 0.337
Plasmodium falciparum alpha tubulin 1 0.024 0.6642 0.6642
Giardia lamblia Beta tubulin 0.035 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.035 1 1
Echinococcus multilocularis tubulin alpha chain 0.024 0.6642 0.6535
Echinococcus granulosus tubulin alpha 3 chain 0.024 0.6642 0.6535
Echinococcus multilocularis peroxisome assembly protein 26 0.024 0.6642 0.6535
Trypanosoma brucei zeta tubulin 0.0078 0.1706 0.1637
Echinococcus multilocularis tubulin gamma 1 chain 0.0179 0.4797 0.4631
Leishmania major beta tubulin 0.035 1 1
Trypanosoma cruzi tubulin delta chain 0.0078 0.1706 0.1637
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0078 0.1706 0.0404
Giardia lamblia Beta tubulin 0.035 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.035 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.024 0.6642 0.6535

Activities

Activity type Activity value Assay description Source Reference
cLogP = 6.3 The partition coefficient of the compound was reported ChEMBL. 11934584
EC50 (functional) = 2.8 uM Compound was tested for antiviral activity against HIV-IIIB in MT-4 cells in presence of 50% human serum ChEMBL. 11934584
EC50 (functional) = 2.8 uM Compound was tested for antiviral activity against HIV-IIIB in MT-4 cells in presence of 50% human serum ChEMBL. 11934584
Inhibition (binding) = 87 % Inhibition of HIV protease at 0.5 nM ChEMBL. 11934584
Inhibition (binding) = 87 % Inhibition of HIV protease at 0.5 nM ChEMBL. 11934584

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11934584

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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