Detailed information for compound 1293043

Basic information

Technical information
  • TDR Targets ID: 1293043
  • Name: N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5 -dioxoimidazolidin-4-yl)acetamide
  • MW: 337.801 | Formula: C16H20ClN3O3
  • H donors: 1 H acceptors: 3 LogP: 1.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(CC(=O)NCc2ccc(cc2)Cl)C(=O)N(C1=O)CC
  • InChi: 1S/C16H20ClN3O3/c1-3-19-13(15(22)20(4-2)16(19)23)9-14(21)18-10-11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,21)
  • InChiKey: OBJFBMMWJFWKPO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxo-imidazolidin-4-yl)acetamide
  • N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxo-4-imidazolidinyl)acetamide
  • N-(4-chlorobenzyl)-2-(1,3-diethyl-2,5-diketo-imidazolidin-4-yl)acetamide
  • N-[(4-chlorophenyl)methyl]-2-(1,3-diethyl-2,5-dioxo-imidazolidin-4-yl)ethanamide
  • N-(4-chlorobenzyl)-2-(1,3-diethyl-2,5-dioxo-4-imidazolidinyl)acetamide
  • SMR000077267
  • STK134661
  • MLS000064612

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi prolyl oligopeptidase family protein 0.011 0.0484 0.0781
Schistosoma mansoni hypothetical protein 0.0516 0.2947 0.4757
Brugia malayi prolyl oligopeptidase family protein 0.011 0.0484 0.0781
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.011 0.0484 0.0781
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0109 0.0176
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.011 0.0484 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0484 0.0634
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0208 0.0336
Echinococcus multilocularis prolyl endopeptidase 0.105 0.6195 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0099 0.0159
Loa Loa (eye worm) hypothetical protein 0.011 0.0484 0.0781
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.105 0.6195 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0099 0.0159
Echinococcus multilocularis Dipeptidyl peptidase 9 0.011 0.0484 0.0781
Trypanosoma cruzi oligopeptidase b 0.0418 0.2352 0.3698
Trypanosoma cruzi oligopeptidase b 0.0418 0.2352 0.3698
Entamoeba histolytica prolyl oligopeptidase family protein 0.011 0.0484 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0208 0.0336
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0418 0.2352 0.3271
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.011 0.0484 0.0781
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0208 0.0336
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.011 0.0484 0.0781
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.011 0.0484 0.0781
Plasmodium falciparum peptidase, putative 0.011 0.0484 1
Treponema pallidum mcbG protein 0.0046 0.0097 0.5
Echinococcus granulosus acylamino acid releasing enzyme 0.011 0.0484 0.0781
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0418 0.2352 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.011 0.0484 0.0781
Entamoeba histolytica prolyl oligopeptidase family protein 0.011 0.0484 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0418 0.2352 0.3698
Trypanosoma brucei prolyl endopeptidase 0.105 0.6195 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0099 0.0159
Entamoeba histolytica prolyl oligopeptidase family protein 0.011 0.0484 1
Loa Loa (eye worm) prolyl oligopeptidase 0.011 0.0484 0.0781
Loa Loa (eye worm) hypothetical protein 0.0105 0.0451 0.0728
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.011 0.0484 0.0634
Echinococcus multilocularis GPCR, family 2 0.0048 0.0109 0.0176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0099 0.0159
Schistosoma mansoni hypothetical protein 0.0036 0.0032 0.0051
Brugia malayi TAR-binding protein 0.0065 0.0208 0.0336
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0032 0.0051
Onchocerca volvulus 0.0242 0.1285 0.2074
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0208 0.0336
Schistosoma mansoni hypothetical protein 0.0048 0.0109 0.0176
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.094 0.5525 0.5482
Schistosoma mansoni hypothetical protein 0.0048 0.0109 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0208 0.0336
Brugia malayi prolyl oligopeptidase family protein 0.011 0.0484 0.0781
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.0745 0.1203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0099 0.0159
Plasmodium vivax hypothetical protein, conserved 0.011 0.0484 1
Brugia malayi Pre-SET motif family protein 0.0213 0.1106 0.1786
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0451 0.0728
Echinococcus granulosus GPCR family 2 0.0048 0.0109 0.0176
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0109 0.0176
Echinococcus granulosus geminin 0.0516 0.2947 0.4757
Leishmania major oligopeptidase b 0.0418 0.2352 0.3698
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0099 0.0159
Giardia lamblia Alanyl dipeptidyl peptidase 0.011 0.0484 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0109 0.0176
Echinococcus multilocularis geminin 0.0516 0.2947 0.4757
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.105 0.6195 1
Brugia malayi hypothetical protein 0.0036 0.0032 0.0051
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0418 0.2352 0.3698
Schistosoma mansoni hypothetical protein 0.0516 0.2947 0.4757
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0099 0.0159
Trypanosoma cruzi prolyl endopeptidase 0.105 0.6195 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.011 0.0484 0.0634
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.105 0.6195 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.011 0.0484 0.0781
Brugia malayi prolyl oligopeptidase family protein 0.105 0.6195 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0032 0.0051
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.011 0.0484 0.0781
Trichomonas vaginalis set domain proteins, putative 0.0242 0.1285 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0208 0.0336
Brugia malayi prolyl oligopeptidase family protein 0.011 0.0484 0.0781
Echinococcus multilocularis acylamino acid releasing enzyme 0.011 0.0484 0.0781
Toxoplasma gondii hypothetical protein 0.011 0.0484 0.0781
Schistosoma mansoni hypothetical protein 0.0105 0.0451 0.0728
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0099 0.0159
Onchocerca volvulus Prolyl endopeptidase homolog 0.105 0.6195 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0418 0.2352 0.3271
Loa Loa (eye worm) hypothetical protein 0.0153 0.0745 0.1203
Brugia malayi RNA binding protein 0.0065 0.0208 0.0336
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0208 0.0336
Loa Loa (eye worm) hypothetical protein 0.0048 0.0109 0.0176
Echinococcus granulosus prolyl endopeptidase 0.105 0.6195 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.0745 0.1203
Echinococcus granulosus Dipeptidyl peptidase 9 0.011 0.0484 0.0781
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0109 0.0176
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0484 0.0634
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.0745 0.1203
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0418 0.2352 0.3698
Loa Loa (eye worm) hypothetical protein 0.105 0.6195 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0109 0.0176
Trypanosoma brucei oligopeptidase b 0.0418 0.2352 0.3271
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0208 0.0336
Schistosoma mansoni hypothetical protein 0.0048 0.0109 0.0176
Loa Loa (eye worm) prolyl oligopeptidase 0.011 0.0484 0.0781
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.011 0.0484 0.0781
Echinococcus granulosus tar DNA binding protein 0.0065 0.0208 0.0336
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0418 0.2352 0.2277
Giardia lamblia Alanyl dipeptidyl peptidase 0.011 0.0484 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 0.0208 0.0336
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0099 0.0159
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.1106 0.1786
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0208 0.0336
Loa Loa (eye worm) hypothetical protein 0.011 0.0484 0.0781
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.011 0.0484 0.0781
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0032 0.0051
Entamoeba histolytica dipeptidyl-peptidase, putative 0.011 0.0484 1
Mycobacterium tuberculosis Probable peptidase 0.0418 0.2352 0.2277
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0109 0.0176
Toxoplasma gondii prolyl endopeptidase 0.105 0.6195 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0418 0.2352 0.2277
Entamoeba histolytica dipeptidyl-peptidase, putative 0.011 0.0484 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0109 0.0176
Entamoeba histolytica hypothetical protein, conserved 0.011 0.0484 1
Schistosoma mansoni hypothetical protein 0.0048 0.0109 0.0176

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0056 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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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