Detailed information for compound 1528852

Basic information

Technical information
  • TDR Targets ID: 1528852
  • Name: N-butan-2-yl-N-[2-(tert-butylamino)-2-oxo-1-p henylethyl]thiadiazole-4-carboxamide
  • MW: 374.5 | Formula: C19H26N4O2S
  • H donors: 1 H acceptors: 4 LogP: 3.59 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(N(C(=O)c1nnsc1)C(C(=O)NC(C)(C)C)c1ccccc1)C
  • InChi: 1S/C19H26N4O2S/c1-6-13(2)23(18(25)15-12-26-22-21-15)16(14-10-8-7-9-11-14)17(24)20-19(3,4)5/h7-13,16H,6H2,1-5H3,(H,20,24)
  • InChiKey: MEZSTEAELJGKBH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-N-sec-butyl-thiadiazole-4-carboxamide
  • N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-sec-butyl-4-thiadiazolecarboxamide
  • N-[2-(tert-butylamino)-2-keto-1-phenyl-ethyl]-N-sec-butyl-thiadiazole-4-carboxamide
  • N-butan-2-yl-N-[2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-1,2,3-thiadiazole-4-carboxamide
  • [1,2,3]Thiadiazole-4-carboxylic acid sec-butyl-(tert-butylcarbamoyl-phenyl-methyl)-amide
  • ASN 06568468
  • SMR000121754
  • MLS000529279

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No 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
Schistosoma mansoni tubulin subunit beta 0.0052 0.326 0.1613
Trypanosoma brucei alpha tubulin 0.0097 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0097 1 1
Schistosoma mansoni tubulin subunit alpha 0.0097 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0052 0.326 0.1613
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus granulosus Tubulin alpha 1 chain 0.0097 1 1
Loa Loa (eye worm) alpha-tubulin 0.0097 1 1
Schistosoma mansoni tubulin subunit beta 0.0052 0.326 0.1613
Toxoplasma gondii beta-tubulin, putative 0.0052 0.326 0.326
Echinococcus granulosus tubulin subunit beta 0.0052 0.326 0.1613
Echinococcus granulosus tubulin alpha 3 chain 0.0097 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0097 1 1
Schistosoma mansoni tubulin subunit beta 0.0052 0.326 0.1613
Trypanosoma brucei beta tubulin 0.0052 0.326 0.326
Echinococcus granulosus beta tubulin 0.0052 0.326 0.1613
Echinococcus granulosus Tubulin alpha 1 chain 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus granulosus tubulin gamma 1 chain 0.0052 0.326 0.1613
Schistosoma mansoni tubulin subunit beta 0.0052 0.326 0.1613
Loa Loa (eye worm) tubulin alpha-2 chain 0.0097 1 1
Brugia malayi Tubulin alpha chain 0.0097 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0097 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0052 0.326 0.326
Echinococcus granulosus tubulin beta 4A class IVa 0.0052 0.326 0.1613
Echinococcus multilocularis Tubulin beta 2C chain 0.0052 0.326 0.1613
Leishmania major alpha tubulin 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Trypanosoma brucei epsilon tubulin 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Trichomonas vaginalis tubulin beta chain, putative 0.0097 1 1
Plasmodium falciparum alpha tubulin 2 0.0097 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Echinococcus granulosus tubulin epsilon chain 0.0052 0.326 0.1613
Brugia malayi beta-tubulin, identical 0.0052 0.326 0.326
Echinococcus granulosus tubulin alpha chain 0.0097 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Trypanosoma brucei beta tubulin 0.0052 0.326 0.326
Trichomonas vaginalis tubulin beta chain, putative 0.0097 1 1
Entamoeba histolytica tubulin gamma chain 0.0052 0.326 0.1613
Trypanosoma brucei tubulin gamma chain 0.0052 0.326 0.326
Echinococcus granulosus Tubulin beta 2C chain 0.0052 0.326 0.1613
Echinococcus granulosus tubulin beta 1 chain 0.0052 0.326 0.1613
Plasmodium vivax tubulin beta chain, putative 0.0052 0.326 0.326
Trichomonas vaginalis tubulin epsilon chain, putative 0.0097 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0097 1 1
Brugia malayi tubulin alpha chain - mouse 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus granulosus peroxisome assembly protein 26 0.0097 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.5555 0.5555
Leishmania major beta tubulin 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Leishmania major alpha tubulin 0.0097 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0052 0.326 0.1613
Echinococcus multilocularis beta tubulin 0.0052 0.326 0.1613
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0052 0.326 0.1613
Leishmania major alpha tubulin 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Schistosoma mansoni tubulin subunit beta 0.0052 0.326 0.1613
Echinococcus multilocularis Tubulin beta 2C chain 0.0052 0.326 0.1613
Trypanosoma brucei epsilon tubulin 0.0052 0.326 0.326
Schistosoma mansoni tubulin subunit gamma 0.0052 0.326 0.1613
Entamoeba histolytica tubulin alpha-1 chain 0.0097 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0097 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0097 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0074 0.6589 0.494
Echinococcus granulosus tubulin alpha chain 0.0097 1 1
Echinococcus multilocularis tubulin alpha 0.0052 0.326 0.1613
Schistosoma mansoni alpha tubulin 0.0097 1 1
Trypanosoma brucei beta tubulin 0.0052 0.326 0.326
Brugia malayi Tubulin beta-1 chain 0.0052 0.326 0.326
Echinococcus granulosus tubulin alpha chain 0.0097 1 1
Plasmodium vivax tubulin epsilon chain, putative 0.0052 0.326 0.326
Schistosoma mansoni alpha tubulin 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0052 0.326 0.1613
Echinococcus granulosus tubulin alpha chain 0.0097 1 1
Echinococcus granulosus beta tubulin 0.0052 0.326 0.1613
Plasmodium vivax tubulin gamma chain, putative 0.0052 0.326 0.326
Echinococcus multilocularis tubulin alpha chain 0.0097 1 1
Echinococcus multilocularis hypothetical protein 0.0097 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0052 0.326 0.326
Leishmania major alpha tubulin 0.0097 1 1
Plasmodium falciparum alpha tubulin 1 0.0097 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.6589 0.6589
Leishmania major beta tubulin 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus multilocularis tubulin alpha 1C chain 0.0097 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0097 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0052 0.326 0.1613
Echinococcus multilocularis Tubulin beta 2C chain 0.0052 0.326 0.1613
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus granulosus tubulin alpha chain 0.0097 1 1
Schistosoma mansoni tubulin subunit alpha 0.0097 1 1
Echinococcus granulosus alpha tubulin 0.0097 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0074 0.6589 0.6589
Schistosoma mansoni tubulin subunit beta 0.0052 0.326 0.1613
Brugia malayi Tubulin alpha-2 chain 0.0097 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0097 1 1
Plasmodium falciparum tubulin gamma chain 0.0052 0.326 0.326
Echinococcus granulosus tubulin alpha 3 chain 0.0097 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0097 1 1
Trypanosoma cruzi beta tubulin, putative 0.0052 0.326 0.326
Trypanosoma brucei epsilon tubulin 0.0052 0.326 0.326
Plasmodium vivax tubulin alpha chain, putative 0.0097 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus multilocularis tubulin alpha chain 0.0097 1 1
Brugia malayi Tubulin gamma chain 0.0052 0.326 0.326
Loa Loa (eye worm) tubulin alpha chain 0.0097 1 1
Schistosoma mansoni tubulin subunit alpha 0.0097 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0052 0.326 0.326
Loa Loa (eye worm) tubulin gamma chain 0.0052 0.326 0.326
Trypanosoma brucei beta tubulin 0.0052 0.326 0.326
Loa Loa (eye worm) tubulin alpha 2 0.0045 0.2145 0.2145
Brugia malayi hypothetical protein 0.0043 0.1964 0.1964
Trypanosoma brucei alpha tubulin 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Loa Loa (eye worm) hypothetical protein 0.0097 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0097 1 1
Loa Loa (eye worm) BEN-1 protein 0.0052 0.326 0.326
Toxoplasma gondii beta tubulin 0.0052 0.326 0.326
Loa Loa (eye worm) tubulin alpha 2 0.0074 0.6589 0.6589
Trypanosoma cruzi epsilon tubulin, putative 0.0052 0.326 0.326
Schistosoma mansoni tubulin subunit epsilon 0.0052 0.326 0.1613
Loa Loa (eye worm) tubulin alpha 2 0.0074 0.6589 0.6589
Brugia malayi Tubulin alpha-2 chain 0.0097 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0052 0.326 0.1613
Loa Loa (eye worm) tubulin alpha chain 0.0097 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus granulosus tubulin subunit TubB 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Leishmania major beta tubulin 0.0052 0.326 0.326
Schistosoma mansoni alpha tubulin 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Echinococcus multilocularis tubulin epsilon chain 0.0052 0.326 0.1613
Giardia lamblia Alpha-tubulin 0.0097 1 1
Echinococcus granulosus tubulin alpha 0.0052 0.326 0.1613
Echinococcus multilocularis tubulin subunit beta 0.0052 0.326 0.1613
Loa Loa (eye worm) tubulin beta-1 chain 0.0052 0.326 0.326
Loa Loa (eye worm) tubulin beta chain 0.0052 0.326 0.326
Echinococcus multilocularis tubulin alpha 1C chain 0.0097 1 1
Brugia malayi alpha-tubulin 0.0097 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0052 0.326 0.1613
Loa Loa (eye worm) BEN-1 protein 0.0052 0.326 0.326
Echinococcus multilocularis tubulin alpha chain 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0052 0.326 0.326
Trypanosoma brucei alpha tubulin 0.0097 1 1
Trypanosoma brucei alpha tubulin 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Echinococcus multilocularis tubulin beta 1 chain 0.0052 0.326 0.1613
Loa Loa (eye worm) tubulin alpha-3 chain 0.0067 0.5555 0.5555
Echinococcus multilocularis tubulin alpha chain 0.0097 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0097 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0097 1 1
Trypanosoma brucei beta tubulin 0.0052 0.326 0.326
Toxoplasma gondii alpha-tubulin I, putative 0.0097 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0097 1 1
Leishmania major beta tubulin 0.0052 0.326 0.326
Leishmania major gamma-tubulin 0.0052 0.326 0.326
Entamoeba histolytica tubulin family protein 0.0052 0.326 0.1613
Entamoeba histolytica tubulin family protein 0.0052 0.326 0.1613
Loa Loa (eye worm) beta-tubulin 0.0052 0.326 0.326
Giardia lamblia Alpha-tubulin 0.0097 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0097 1 1
Leishmania major alpha tubulin 0.0097 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0097 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0097 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0067 0.5555 0.3406
Echinococcus multilocularis tubulin subunit TubB 0.0097 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0052 0.326 0.1613
Trypanosoma cruzi tubulin gamma chain 0.0052 0.326 0.326
Echinococcus multilocularis beta tubulin 0.0052 0.326 0.1613
Leishmania major epsilon tubulin, putative 0.0052 0.326 0.326
Plasmodium falciparum tubulin beta chain 0.0052 0.326 0.326
Echinococcus multilocularis tubulin alpha chain 0.0097 1 1
Loa Loa (eye worm) alpha-tubulin 0.0097 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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