Detailed information for compound 1223579

Basic information

Technical information
  • TDR Targets ID: 1223579
  • Name: 4-[(2-cyanoacetyl)amino]-N-methyl-N-[2-(napht halen-1-ylamino)-2-oxoethyl]benzamide
  • MW: 400.43 | Formula: C23H20N4O3
  • H donors: 2 H acceptors: 4 LogP: 3.15 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCC(=O)Nc1ccc(cc1)C(=O)N(CC(=O)Nc1cccc2c1cccc2)C
  • InChi: 1S/C23H20N4O3/c1-27(23(30)17-9-11-18(12-10-17)25-21(28)13-14-24)15-22(29)26-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13,15H2,1H3,(H,25,28)(H,26,29)
  • InChiKey: MZERHWNOMRFKEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(2-cyanoacetyl)amino]-N-methyl-N-[2-(1-naphthylamino)-2-oxo-ethyl]benzamide
  • 4-[(2-cyano-1-oxoethyl)amino]-N-methyl-N-[2-(1-naphthylamino)-2-oxoethyl]benzamide
  • 4-[(2-cyanoacetyl)amino]-N-[2-keto-2-(1-naphthylamino)ethyl]-N-methyl-benzamide
  • 4-(2-cyanoethanoylamino)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxo-ethyl]benzamide
  • T5361226
  • ZINC06602327

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens transmembrane protease, serine 15 Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 1 1
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.9138 0.9138
Loa Loa (eye worm) hypothetical protein 0.0018 0.2908 0.2908
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0009 0.0428 0.0428
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 1 1
Echinococcus granulosus MAM 0.0019 0.3272 0.3272
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 1 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3272 0.3272
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2908 0.2908
Schistosoma mansoni hypothetical protein 0.0019 0.3272 0.3272
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 1 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 1 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 1 0.5
Brugia malayi Protein kinase domain containing protein 0.0019 0.3272 0.3272
Echinococcus granulosus ubiquitin specific protease 41 0.0045 1 1
Brugia malayi Augmenter of liver regeneration 0.0041 0.9138 0.9138
Onchocerca volvulus 0.0018 0.2908 0.8886
Loa Loa (eye worm) TK/ALK protein kinase 0.0019 0.3272 0.3272
Schistosoma mansoni hypothetical protein 0.0019 0.3272 0.3272
Onchocerca volvulus 0.0018 0.2908 0.8886
Brugia malayi hypothetical protein 0.0019 0.3272 0.3272
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.9138 0.5
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 1 1
Onchocerca volvulus 0.0018 0.2908 0.8886
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.9138 0.5
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.9138 0.9138
Brugia malayi SEA domain containing protein 0.0018 0.2908 0.2908
Loa Loa (eye worm) DOMON domain-containing protein 0.0018 0.2908 0.2908
Loa Loa (eye worm) hypothetical protein 0.0019 0.3272 0.3272
Trichomonas vaginalis conserved hypothetical protein 0.0045 1 0.5
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.9138 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 1
Echinococcus multilocularis MAM 0.0019 0.3272 0.3272
Schistosoma mansoni hypothetical protein 0.0018 0.2908 0.2908
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 1 0.5
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.9138 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.3272 0.3272
Onchocerca volvulus 0.0018 0.2908 0.8886
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.9138 0.9138
Onchocerca volvulus 0.0019 0.3272 1
Onchocerca volvulus 0.0019 0.3272 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 1 1
Onchocerca volvulus 0.0018 0.2908 0.8886
Brugia malayi Muscle positioning protein 4 0.0018 0.2908 0.2908

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 6.29 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: Ub-rhodamine 110 based assay for inhibitors Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: CHOP2 Reporter Counterscreen Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 100 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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