Detailed information for compound 809929

Basic information

Technical information
  • TDR Targets ID: 809929
  • Name: (4-nitrophenyl)methyl 2-pyridin-4-ylsulfanyla cetate
  • MW: 304.321 | Formula: C14H12N2O4S
  • H donors: 0 H acceptors: 4 LogP: 2.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1ccncc1)OCc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C14H12N2O4S/c17-14(10-21-13-5-7-15-8-6-13)20-9-11-1-3-12(4-2-11)16(18)19/h1-8H,9-10H2
  • InChiKey: CYHZPSOHMGMIFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-nitrophenyl)methyl 2-(4-pyridylsulfanyl)acetate
  • 2-(4-pyridylthio)acetic acid (4-nitrophenyl)methyl ester
  • 2-(4-pyridylthio)acetic acid (4-nitrobenzyl) ester
  • (4-nitrophenyl)methyl 2-pyridin-4-ylsulfanylethanoate
  • Acetic acid, 2-(4-pyridylthio)-, 4-nitrobenzyl ester
  • A2500/0106340
  • ZINC00088351
  • BIM-0009905.P001
  • (Pyridin-4-ylsulfanyl)-acetic acid 4-nitro-benzyl ester
  • BAS 01053245
  • CBMicro_009914

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Onchocerca volvulus Cathepsin L homolog 0.0228 0.0619 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0228 0.0619 0.7189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Echinococcus multilocularis cathepsin L cysteine protease 0.0228 0.0619 0.0477
Entamoeba histolytica cysteine proteinase, putative 0.0228 0.0619 0.7189
Echinococcus granulosus integrin beta 2 0.08 0.6823 0.7452
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Onchocerca volvulus 0.0228 0.0619 0.5
Giardia lamblia Cathepsin B precursor 0.037 0.2152 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1008 0.9089 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0228 0.0619 0.0619
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Toxoplasma gondii cathepsin CPL 0.0228 0.0619 0.2168
Trypanosoma cruzi cysteine peptidase, putative 0.0228 0.0619 0.0477
Echinococcus multilocularis cysteine protease 0.0228 0.0619 0.0477
Onchocerca volvulus 0.0228 0.0619 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1008 0.9089 1
Schistosoma mansoni cathepsin F (C01 family) 0.0228 0.0619 0.0477
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0244 0.0785 0.3015
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0244 0.0785 0.0664
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0228 0.0619 0.2168
Echinococcus granulosus cathepsin l1 0.0228 0.0619 0.0477
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0604 0.4702 0.5068
Plasmodium vivax vivapain-2 0.0228 0.0619 0.7189
Giardia lamblia Cathepsin B precursor 0.037 0.2152 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0228 0.0619 0.7189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Loa Loa (eye worm) proteasome subunit beta type 1 0.0189 0.0194 0.0194
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0244 0.0785 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Giardia lamblia Cathepsin B precursor 0.037 0.2152 1
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1008 0.9089 1
Loa Loa (eye worm) cysteine protease 0.0228 0.0619 0.0619
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1008 0.9089 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Brugia malayi proteasome subunit beta type 1 0.0189 0.0194 0.0194
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Echinococcus multilocularis cathepsin b 0.1008 0.9089 1
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Brugia malayi cathepsin B-like cysteine proteinase 0.1008 0.9089 0.9089
Echinococcus granulosus cathepsin b 0.1008 0.9089 1
Brugia malayi Papain family cysteine protease containing protein 0.0228 0.0619 0.0619
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Entamoeba histolytica cysteine proteinase, putative 0.0228 0.0619 0.7189
Echinococcus granulosus proteasome prosome macropain 0.0244 0.0785 0.0664
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.037 0.2152 1
Schistosoma mansoni cathepsin F (C01 family) 0.0228 0.0619 0.0477
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Onchocerca volvulus Cathepsin F homolog 0.0228 0.0619 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0228 0.0619 0.0477
Loa Loa (eye worm) hypothetical protein 0.1008 0.9089 0.9089
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Loa Loa (eye worm) cathepsin B 0.037 0.2152 0.2152
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0244 0.0785 0.0664
Onchocerca volvulus 0.0228 0.0619 0.5
Loa Loa (eye worm) fibroinase 0.0228 0.0619 0.0619
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0244 0.0785 0.3015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Echinococcus granulosus nuclear factor of activated T cells 5 0.0604 0.4702 0.5068
Loa Loa (eye worm) hypothetical protein 0.0228 0.0619 0.0619
Trypanosoma cruzi cysteine peptidase, putative 0.0228 0.0619 0.0477
Schistosoma mansoni cathepsin F (C01 family) 0.0228 0.0619 0.0477
Plasmodium falciparum cysteine proteinase falcipain 3 0.0228 0.0619 0.7189
Onchocerca volvulus 0.0228 0.0619 0.5
Loa Loa (eye worm) hypothetical protein 0.0228 0.0619 0.0619
Plasmodium falciparum proteasome subunit beta type-5 0.0244 0.0785 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Echinococcus multilocularis proteasome (prosome, macropain) 0.0244 0.0785 0.0664
Leishmania major cysteine peptidase A (CPA) 0.0228 0.0619 0.2168
Mycobacterium ulcerans proteasome PrcB 0.0244 0.0785 0.5
Onchocerca volvulus Cathepsin L homolog 0.0228 0.0619 0.5
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Onchocerca volvulus 0.0228 0.0619 0.5
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Echinococcus granulosus cathepsin l cysteine peptidase 0.0228 0.0619 0.0477
Echinococcus multilocularis cysteine protease 0.0228 0.0619 0.0477
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0228 0.0619 0.0477
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Toxoplasma gondii proteasome subunit beta type, putative 0.0244 0.0785 0.3015
Toxoplasma gondii cathepsin B 0.037 0.2152 1
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Echinococcus multilocularis cathepsin L cysteine protease 0.0228 0.0619 0.0477
Plasmodium vivax proteasome subunit beta type-5, putative 0.0244 0.0785 1
Entamoeba histolytica cysteine protease, putative 0.0228 0.0619 0.7189
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Leishmania major proteasome beta 5 subunit, putative 0.0244 0.0785 0.3015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0228 0.0619 0.2168
Onchocerca volvulus 0.0228 0.0619 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0228 0.0619 0.0477
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0228 0.0619 0.0477
Brugia malayi Proteasome A-type and B-type family protein 0.0244 0.0785 0.0785
Echinococcus multilocularis integrin beta 2 0.08 0.6823 0.7452
Loa Loa (eye worm) hypothetical protein 0.0228 0.0619 0.0619
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0244 0.0785 0.0664
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Loa Loa (eye worm) hypothetical protein 0.0228 0.0619 0.0619
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0541 0.4014 0.4294
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Brugia malayi Cathepsin L-like cysteine proteinase 0.0228 0.0619 0.0619
Trypanosoma cruzi cruzipain precursor, putative 0.0228 0.0619 0.0477
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.037 0.2152 0.2202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Echinococcus granulosus cathepsin L cysteine proteinase 0.0228 0.0619 0.0477
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0244 0.0785 0.5
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0228 0.0619 0.7189
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.037 0.2152 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0244 0.0785 0.3015
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1008 0.9089 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Echinococcus granulosus cathepsin b 0.1008 0.9089 1
Echinococcus multilocularis cathepsin b 0.1008 0.9089 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.037 0.2152 0.2202
Brugia malayi cathepsin L-like precursor 0.0228 0.0619 0.0619
Loa Loa (eye worm) integrin beta-2 0.1092 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Onchocerca volvulus 0.0228 0.0619 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Schistosoma mansoni integrin beta subunit 0.0628 0.496 0.5359
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0244 0.0785 0.5
Trypanosoma brucei cysteine peptidase C (CPC) 0.037 0.2152 1
Onchocerca volvulus 0.0228 0.0619 0.5
Leishmania major cathepsin L-like protease 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0228 0.0619 0.2168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0228 0.0619 0.2168
Echinococcus granulosus tm gpcr rhodopsin 0.0541 0.4014 0.4294
Plasmodium vivax vivapain-2 0.0228 0.0619 0.7189
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0228 0.0619 0.0477
Brugia malayi Cathepsin L-like precursor 0.0228 0.0619 0.0619
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0228 0.0619 0.0619
Echinococcus granulosus cathepsin l1 0.0228 0.0619 0.0477
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0228 0.0619 0.2168
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0244 0.0785 0.0785
Loa Loa (eye worm) ctsf protein 0.0228 0.0619 0.0619

Activities

No activities found for this compound.

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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