Detailed information for compound 983225

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.464 | Formula: C20H21N3O3S
  • H donors: 2 H acceptors: 3 LogP: 2.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NS(=O)(=O)c1cccc(c1)c1cc2ccncc2cc1OC1CCNCC1
  • InChi: 1S/C20H21N3O3S/c21-27(24,25)18-3-1-2-15(10-18)19-11-14-4-7-23-13-16(14)12-20(19)26-17-5-8-22-9-6-17/h1-4,7,10-13,17,22H,5-6,8-9H2,(H2,21,24,25)
  • InChiKey: YRJJHSHJVQPPNR-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 inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta Starlite/ChEMBL References
Homo sapiens conserved helix-loop-helix ubiquitous kinase 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
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0171 0.0162
Leishmania major beta tubulin 0.0524 1 1
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Brugia malayi hypothetical protein 0.0035 0.0184 0.0175
Trichomonas vaginalis tubulin beta chain, putative 0.0386 0.7236 0.6477
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0052 0.0049
Entamoeba histolytica tubulin family protein 0.0524 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0386 0.7236 0.6477
Trichomonas vaginalis tubulin beta chain, putative 0.0386 0.7236 0.6477
Trichomonas vaginalis tubulin beta chain, putative 0.0524 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0524 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0386 0.7236 0.7234
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.3524 0.3524
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.2256 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0386 0.7236 0.7234
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0171 0.0162
Loa Loa (eye worm) tubulin alpha-2 chain 0.0386 0.7236 0.7236
Trypanosoma brucei tubulin gamma chain 0.0317 0.5842 0.4344
Leishmania major beta tubulin 0.0524 1 1
Leishmania major gamma-tubulin 0.0317 0.5842 0.0975
Brugia malayi Tubulin alpha-2 chain 0.0386 0.7236 0.7234
Schistosoma mansoni tubulin subunit beta 0.0524 1 1
Giardia lamblia Gamma tubulin 0.0317 0.5842 0.5821
Plasmodium falciparum tubulin epsilon chain, putative 0.0316 0.5835 0.5813
Echinococcus multilocularis expressed protein 0.0361 0.6728 0.6724
Plasmodium vivax tubulin epsilon chain, putative 0.0316 0.5835 0.5813
Plasmodium vivax SET domain protein, putative 0.0029 0.0066 0.0014
Trypanosoma cruzi tubulin gamma chain 0.0317 0.5842 0.0975
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0524 1 1
Trypanosoma brucei epsilon tubulin 0.0316 0.5835 0.4334
Schistosoma mansoni tubulin subunit beta 0.0524 1 1
Leishmania major beta tubulin 0.0524 1 1
Trichomonas vaginalis tubulin, putative 0.0159 0.268 0.0668
Trichomonas vaginalis tubulin alpha chain, putative 0.029 0.5318 0.4031
Echinococcus multilocularis tubulin alpha 3 chain 0.0386 0.7236 0.7234
Echinococcus multilocularis tubulin beta 1 chain 0.0524 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Onchocerca volvulus 0.0157 0.2649 0.6481
Toxoplasma gondii alpha tubulin TUBA1 0.0386 0.7236 0.7235
Plasmodium vivax tubulin beta chain, putative 0.0524 1 1
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Trypanosoma brucei beta tubulin 0.029 0.5318 0.3631
Trypanosoma brucei zeta tubulin, putative 0.0402 0.7568 0.6691
Entamoeba histolytica tubulin family protein 0.0524 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0524 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0386 0.7236 0.7222
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0386 0.7236 0.6477
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0654 0.0654
Echinococcus granulosus Tubulin alpha 1 chain 0.0386 0.7236 0.7234
Echinococcus granulosus tubulin alpha 3 chain 0.0386 0.7236 0.7234
Echinococcus granulosus tubulin alpha chain 0.0386 0.7236 0.7234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0066 0.0056
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.2256 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0253 0.4567 0.4567
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0148 0.0138
Brugia malayi alpha-tubulin 0.0386 0.7236 0.7234
Echinococcus granulosus tubulin alpha chain 0.0386 0.7236 0.7234
Trichomonas vaginalis tubulin epsilon chain, putative 0.0386 0.7236 0.6477
Giardia lamblia Beta tubulin 0.0524 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0066 0.0056
Toxoplasma gondii beta-1 tubulin, putative 0.0524 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.029 0.5318 0.5317
Plasmodium falciparum tubulin delta chain, putative 0.0133 0.2156 0.2115
Giardia lamblia Delta tubulin 0.0133 0.2156 0.2115
Leishmania major beta tubulin 0.0524 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Trichomonas vaginalis tubulin beta chain, putative 0.0386 0.7236 0.6477
Echinococcus multilocularis Tubulin beta 2C chain 0.0524 1 1
Schistosoma mansoni tubulin subunit alpha 0.0133 0.2156 0.2148
Entamoeba histolytica tubulin alpha-1 chain 0.0386 0.7236 0.7184
Loa Loa (eye worm) hypothetical protein 0.0026 0.001 0.001
Trypanosoma brucei epsilon tubulin 0.0316 0.5835 0.4334
Trypanosoma cruzi alpha tubulin, putative 0.0386 0.7236 0.4001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0066 0.0056
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Onchocerca volvulus 0.0029 0.0066 0.0137
Brugia malayi Cell division protein ftsZ 0.0133 0.2156 0.2148
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Trichomonas vaginalis tubulin, putative 0.0524 1 1
Brugia malayi Tubulin gamma chain 0.0317 0.5842 0.5838
Loa Loa (eye worm) intermediate filament protein 0.0026 0.001 0.001
Giardia lamblia Epsilon tubulin 0.0159 0.2672 0.2634
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0454 0.0444
Trichomonas vaginalis tubulin gamma chain, putative 0.0316 0.5835 0.469
Trypanosoma cruzi epsilon tubulin, putative 0.0316 0.5835 0.0958
Echinococcus granulosus Tubulin beta 2C chain 0.0524 1 1
Brugia malayi jmjC domain containing protein 0.0092 0.1339 0.133
Trichomonas vaginalis tubulin beta chain, putative 0.0386 0.7236 0.6477
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0066 0.0056
Leishmania major beta tubulin 0.0524 1 1
Trypanosoma brucei beta tubulin 0.0524 1 1
Loa Loa (eye worm) alpha-tubulin 0.0386 0.7236 0.7236
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.1929 0.1921
Plasmodium vivax tubulin gamma chain, putative 0.0317 0.5842 0.5821
Echinococcus granulosus peregrin 0.0028 0.0052 0.0042
Trypanosoma brucei beta tubulin 0.0524 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0228 0.4074 0.2445
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0958 0.0949
Echinococcus multilocularis Tubulin alpha 1 chain 0.0386 0.7236 0.7234
Echinococcus granulosus Tubulin beta 2C chain 0.0524 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Schistosoma mansoni tubulin subunit gamma 0.0317 0.5842 0.5838
Loa Loa (eye worm) tubulin beta-4 chain 0.0524 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0184 0.0175
Leishmania major beta tubulin 0.0524 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0253 0.4567 0.3074
Leishmania major epsilon tubulin, putative 0.0316 0.5835 0.0958
Trypanosoma cruzi zeta tubulin, putative 0.0402 0.7568 0.4721
Loa Loa (eye worm) BEN-1 protein 0.0524 1 1
Echinococcus granulosus tubulin alpha chain 0.0386 0.7236 0.7234
Echinococcus multilocularis tubulin delta chain 0.0133 0.2156 0.2148
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Trichomonas vaginalis tubulin epsilon chain, putative 0.0524 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0386 0.7236 0.7234
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0066 0.0056
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0184 0.0175
Leishmania major beta tubulin 0.0524 1 1
Toxoplasma gondii beta tubulin 0.0524 1 1
Echinococcus multilocularis tubulin subunit beta 0.0524 1 1
Plasmodium falciparum tubulin gamma chain 0.0317 0.5842 0.5821
Loa Loa (eye worm) tubulin alpha 2 0.0253 0.4567 0.4567
Echinococcus granulosus Tubulin alpha 1 chain 0.0386 0.7236 0.7234
Brugia malayi jmjC domain containing protein 0.0034 0.0171 0.0162
Giardia lamblia Alpha-tubulin 0.0386 0.7236 0.7222
Schistosoma mansoni tubulin subunit beta 0.0133 0.2156 0.2148
Echinococcus multilocularis Tubulin beta 2C chain 0.0524 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0386 0.7236 0.7234
Echinococcus multilocularis tubulin epsilon chain 0.0316 0.5835 0.5831
Brugia malayi Tubulin alpha chain 0.0386 0.7236 0.7234
Echinococcus granulosus expressed protein 0.0361 0.6728 0.6724
Schistosoma mansoni hypothetical protein 0.0033 0.0148 0.0138
Schistosoma mansoni hypothetical protein 0.0122 0.1929 0.1921
Leishmania major beta tubulin 0.0524 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0317 0.5842 0.5842
Trichomonas vaginalis tubulin gamma chain, putative 0.0317 0.5842 0.47
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Trypanosoma cruzi zeta tubulin, putative 0.0402 0.7568 0.4721
Plasmodium vivax tubulin alpha chain, putative 0.0386 0.7236 0.7222
Loa Loa (eye worm) hypothetical protein 0.0386 0.7236 0.7236
Trypanosoma brucei alpha tubulin 0.0386 0.7236 0.624
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Echinococcus granulosus tubulin delta chain 0.0133 0.2156 0.2148
Echinococcus granulosus tubulin beta 4A class IVa 0.0524 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0386 0.7236 0.6477
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0133 0.2156 0.5
Schistosoma mansoni hypothetical protein 0.0028 0.0052 0.0042
Echinococcus granulosus tubulin alpha 3 chain 0.0386 0.7236 0.7234
Trichomonas vaginalis tubulin epsilon chain, putative 0.0524 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0159 0.2672 0.267
Trichomonas vaginalis set domain proteins, putative 0.0229 0.4082 0.2455
Echinococcus multilocularis beta tubulin 0.0524 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.2321 0.2313
Echinococcus multilocularis peregrin 0.0028 0.0052 0.0042
Loa Loa (eye worm) tubulin alpha chain 0.0386 0.7236 0.7236
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.1339 0.133
Trypanosoma brucei alpha tubulin 0.0386 0.7236 0.624
Echinococcus granulosus tubulin alpha 1C chain 0.0386 0.7236 0.7234
Loa Loa (eye worm) hypothetical protein 0.0048 0.0456 0.0456
Echinococcus granulosus Tubulin beta 2C chain 0.0524 1 1
Leishmania major beta tubulin 0.0524 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.1339 0.133
Brugia malayi tubulin alpha chain - mouse 0.0386 0.7236 0.7234
Giardia lamblia Beta tubulin 0.0524 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0066 0.0056
Leishmania major beta tubulin 0.0524 1 1
Leishmania major beta tubulin 0.0524 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0454 0.0454
Echinococcus multilocularis tubulin subunit TubB 0.0386 0.7236 0.7234
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Schistosoma mansoni tubulin subunit beta 0.0524 1 1
Echinococcus multilocularis beta tubulin 0.0524 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Echinococcus multilocularis Tubulin beta 2C chain 0.0524 1 1
Echinococcus multilocularis hypothetical protein 0.0386 0.7236 0.7234
Loa Loa (eye worm) BEN-1 protein 0.0524 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.5156 0.5065
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0052 0.0049
Loa Loa (eye worm) tubulin alpha-3 chain 0.0228 0.4074 0.4074
Schistosoma mansoni alpha tubulin 0.0386 0.7236 0.7234
Leishmania major beta tubulin 0.0524 1 1
Echinococcus multilocularis tubulin alpha chain 0.0386 0.7236 0.7234
Schistosoma mansoni tubulin subunit delta 0.0133 0.2156 0.2148
Onchocerca volvulus Alhambra homolog 0.0028 0.0052 0.0104
Trypanosoma cruzi beta tubulin, putative 0.0524 1 1
Echinococcus granulosus tubulin subunit beta 0.0524 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0171 0.0171
Echinococcus multilocularis Tubulin beta 2C chain 0.0524 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0317 0.5842 0.5838
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0171 0.0162
Echinococcus multilocularis tubulin alpha chain 0.0386 0.7236 0.7234
Loa Loa (eye worm) hypothetical protein 0.0028 0.0052 0.0052
Entamoeba histolytica tubulin alpha chain, putative 0.0386 0.7236 0.7184
Brugia malayi Tubulin beta chain 0.0133 0.2156 0.2148
Onchocerca volvulus 0.0229 0.4082 1
Leishmania major beta tubulin 0.0524 1 1
Schistosoma mansoni tubulin subunit beta 0.0524 1 1
Trypanosoma brucei epsilon tubulin 0.029 0.5318 0.3631
Schistosoma mansoni thyroid hormone receptor 0.0141 0.2321 0.2313
Trypanosoma brucei alpha tubulin 0.0386 0.7236 0.624
Echinococcus multilocularis tubulin alpha 0.029 0.5318 0.5314
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0294 0.5393 0.5392
Giardia lamblia Beta tubulin 0.0524 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.1929 0.1921
Entamoeba histolytica tubulin gamma chain 0.0317 0.5842 0.5764
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0454 0.0454
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0454 0.0444
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0273 0.0264
Trichomonas vaginalis tubulin, putative 0.0157 0.2649 0.0628
Echinococcus multilocularis tubulin alpha 3 chain 0.0386 0.7236 0.7234
Echinococcus granulosus beta tubulin 0.0524 1 1
Schistosoma mansoni tubulin subunit epsilon 0.0316 0.5835 0.5831
Brugia malayi Tubulin alpha-2 chain 0.0386 0.7236 0.7234
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0052 0.0052
Trichomonas vaginalis tubulin alpha chain, putative 0.0157 0.2649 0.0628
Loa Loa (eye worm) tubulin beta-2A chain 0.0524 1 1
Echinococcus granulosus beta tubulin 0.0524 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0157 0.2649 0.0628
Plasmodium falciparum alpha tubulin 2 0.0386 0.7236 0.7222
Trypanosoma brucei alpha tubulin 0.0386 0.7236 0.624
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0052 0.0042
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.001 0.001
Leishmania major beta tubulin 0.0524 1 1
Giardia lamblia Alpha-tubulin 0.0386 0.7236 0.7222
Echinococcus granulosus peroxisome assembly protein 26 0.0386 0.7236 0.7234
Schistosoma mansoni thyroid hormone receptor 0.0141 0.2321 0.2313
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0066 0.0063
Echinococcus multilocularis tubulin alpha chain 0.0386 0.7236 0.7234
Loa Loa (eye worm) tubulin beta chain 0.0133 0.2156 0.2156
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 0.5156 0.5131
Leishmania major beta tubulin 0.0524 1 1
Brugia malayi Tubulin beta chain 0.0157 0.2649 0.2642
Echinococcus granulosus tubulin alpha 0.029 0.5318 0.5314
Echinococcus granulosus tubulin alpha chain 0.0386 0.7236 0.7234
Schistosoma mansoni tubulin subunit alpha 0.0386 0.7236 0.7234
Loa Loa (eye worm) tubulin alpha 2 0.0096 0.1405 0.1405
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0184 0.0175
Toxoplasma gondii alpha-tubulin I, putative 0.0386 0.7236 0.7235
Trichomonas vaginalis tubulin, putative 0.0157 0.2649 0.0628
Loa Loa (eye worm) hypothetical protein 0.0253 0.4567 0.4567
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0044 0.0035
Trichomonas vaginalis tubulin alpha chain, putative 0.0157 0.2649 0.0628
Schistosoma mansoni tubulin subunit beta 0.0524 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0524 1 1
Leishmania major beta tubulin 0.0524 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0052 0.0042
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0052 0.0042
Toxoplasma gondii beta-tubulin, putative 0.0524 1 1
Echinococcus multilocularis tubulin alpha chain 0.0386 0.7236 0.7234
Loa Loa (eye worm) hypothetical protein 0.0029 0.0066 0.0066
Echinococcus granulosus tubulin subunit TubB 0.0386 0.7236 0.7234
Echinococcus multilocularis Tubulin beta 2C chain 0.0524 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0282 0.5156 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0386 0.7236 0.7234
Trypanosoma brucei beta tubulin 0.0524 1 1
Brugia malayi Pre-SET motif family protein 0.0201 0.3524 0.3518
Schistosoma mansoni tubulin subunit beta 0.0524 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.5156 0.5065
Loa Loa (eye worm) alpha-tubulin 0.0386 0.7236 0.7236
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.2256 1
Brugia malayi beta-tubulin, identical 0.0524 1 1
Brugia malayi PHD-finger family protein 0.0028 0.0052 0.0042
Schistosoma mansoni alpha tubulin 0.0386 0.7236 0.7234
Echinococcus granulosus tubulin beta 1 chain 0.0524 1 1
Leishmania major beta tubulin 0.0524 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0316 0.5835 0.0958
Schistosoma mansoni tubulin subunit alpha 0.0386 0.7236 0.7234
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825
Leishmania major alpha tubulin 0.0386 0.7236 0.4001
Brugia malayi Tubulin alpha chain 0.0133 0.2156 0.2148
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0171 0.0162
Loa Loa (eye worm) tubulin alpha chain 0.0386 0.7236 0.7236
Trichomonas vaginalis tubulin epsilon chain, putative 0.0386 0.7236 0.6477
Loa Loa (eye worm) tubulin alpha 2 0.0253 0.4567 0.4567
Schistosoma mansoni tubulin subunit alpha 0.0386 0.7236 0.7234
Echinococcus multilocularis tubulin alpha chain 0.0386 0.7236 0.7234
Echinococcus granulosus alpha tubulin 0.0386 0.7236 0.7234
Loa Loa (eye worm) hypothetical protein 0.0228 0.4074 0.4074
Plasmodium falciparum tubulin beta chain 0.0524 1 1
Leishmania major beta tubulin 0.0524 1 1
Echinococcus granulosus tubulin gamma 1 chain 0.0317 0.5842 0.5838
Brugia malayi tubulin alpha-2 chain 0.0386 0.7236 0.7234
Brugia malayi Pre-SET motif family protein 0.0029 0.0066 0.0056
Trypanosoma brucei zeta tubulin 0.0402 0.7568 0.6691
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0273 0.0264
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0184 0.0175
Loa Loa (eye worm) beta-tubulin 0.0524 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0524 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0386 0.7236 0.7234
Leishmania major zeta tubulin, putative 0.0402 0.7568 0.4721
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0157 0.2649 0.0628
Loa Loa (eye worm) tubulin beta chain 0.0524 1 1
Trypanosoma brucei beta tubulin 0.0524 1 1
Plasmodium vivax delta tubulin, putative 0.0133 0.2156 0.2115
Trichomonas vaginalis tubulin alpha chain, putative 0.0157 0.2649 0.0628
Brugia malayi Bromodomain containing protein 0.0028 0.0052 0.0042
Echinococcus granulosus tubulin epsilon chain 0.0316 0.5835 0.5831
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0066 0.0056
Schistosoma mansoni alpha tubulin 0.0386 0.7236 0.7234
Trypanosoma brucei tubulin delta chain 0.0294 0.5393 0.3733
Loa Loa (eye worm) hypothetical protein 0.0033 0.0148 0.0148
Echinococcus granulosus tubulin alpha chain 0.0386 0.7236 0.7234
Trichomonas vaginalis tubulin alpha chain, putative 0.0524 1 1
Plasmodium falciparum alpha tubulin 1 0.0386 0.7236 0.7222
Echinococcus multilocularis peroxisome assembly protein 26 0.0386 0.7236 0.7234
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.5156 0.3825

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.1 Inhibition of His-tagged IKKalpha ChEMBL. 19348415
IC50 (functional) = 5.2 Inhibition of LPS-stimulated TNFalpha production in human PBMC by electrochemiluminescence assay ChEMBL. 19348415
IC50 (binding) = 5.9 Inhibition if human recombinant GST-tagged IKK-beta (1 to 737) ChEMBL. 19348415
IC50 (binding) = 5.9 Inhibition of human IKKbeta using GST-IkappaBalpha as substrate ChEMBL. 23501112

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19348415

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.