Detailed information for compound 1380991

Basic information

Technical information
  • TDR Targets ID: 1380991
  • Name: ethyl N-(1-pyridin-2-ylsulfanyl-2,3-dihydro-1 H-inden-2-yl)carbamate
  • MW: 314.402 | Formula: C17H18N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)NC1Cc2c(C1Sc1ccccn1)cccc2
  • InChi: 1S/C17H18N2O2S/c1-2-21-17(20)19-14-11-12-7-3-4-8-13(12)16(14)22-15-9-5-6-10-18-15/h3-10,14,16H,2,11H2,1H3,(H,19,20)
  • InChiKey: HYEHRBPZEDEHPY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl N-[1-(2-pyridylsulfanyl)indan-2-yl]carbamate
  • N-[1-(2-pyridylthio)-2-indanyl]carbamic acid ethyl ester
  • N-[1-(2-pyridylthio)indan-2-yl]carbamic acid ethyl ester
  • Oprea1_018090
  • Bionet2_000938
  • 12H-938

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Plasmodium falciparum 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
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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 bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium parvum conserved hypothetical protein 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Treponema pallidum exodeoxyribonuclease (exoA) 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 major apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
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 multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0588 0.0411
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0467 0.292
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4427
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0397 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.1598 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0717 0.0592
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0467 0.0581
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0467 0.292
Loa Loa (eye worm) hypothetical protein 0.0046 0.3864 0.3972
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0894 0.0667
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0588 0.3677
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0467 0.0242
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0588 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0588 0.1068
Loa Loa (eye worm) hypothetical protein 0.0052 0.4581 0.4769
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0588 0.1068
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.292
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0588 0.5
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0473 0.8042
Echinococcus granulosus zinc finger protein 0.0024 0.0717 0.0592
Schistosoma mansoni bromodomain containing protein 0.0076 0.8037 1
Entamoeba histolytica hypothetical protein 0.003 0.1598 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0588 0.1068
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.292
Schistosoma mansoni hypothetical protein 0.0025 0.0894 0.1112
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0467 0.7943
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0588 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0588 0.3677
Toxoplasma gondii FATC domain-containing protein 0.003 0.1598 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0467 0.0242
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0467 0.7943
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0588 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.292
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.1598 0.1989
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0467 0.0192
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0588 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0467 0.0581
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1214 0.151
Loa Loa (eye worm) hypothetical protein 0.0085 0.9283 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0467 0.292
Loa Loa (eye worm) hypothetical protein 0.0049 0.4261 0.4413
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0467 0.7943
Schistosoma mansoni ap endonuclease 0.0023 0.0588 0.0731
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0588 0.0411
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0467 0.0192
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0467 0.7943
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0473 0.2957
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0588 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.0717 0.0891
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.1598 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0467 0.292
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0588 0.3677
Toxoplasma gondii exonuclease III APE 0.0023 0.0588 0.1068
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.1598 1
Schistosoma mansoni ap endonuclease 0.0023 0.0588 0.0731
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4427
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0588 0.0127
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0588 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0467 0.292
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1214 0.1287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1015 0.0803
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.1598 0.1187
Brugia malayi PHD-finger family protein 0.003 0.161 0.1199
Echinococcus granulosus serine protein kinase ATM 0.003 0.1598 0.1826
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0467 0.292
Brugia malayi Bromodomain containing protein 0.0046 0.3853 0.3552
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0467 0.292
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0588 0.5
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0467 0.0242
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1214 0.1287
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0467 0.7943
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0588 0.0327
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.1015 0.6353
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0467 0.0242
Echinococcus multilocularis serine protein kinase ATM 0.003 0.1598 0.1826

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 4.7444 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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.

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