Detailed information for compound 625888

Basic information

Technical information
  • TDR Targets ID: 625888
  • Name: 7-[(2-chlorophenyl)methylsulfanyl]-3-(4-fluor ophenyl)triazolo[4,5-e]pyrimidine
  • MW: 371.819 | Formula: C17H11ClFN5S
  • H donors: 0 H acceptors: 4 LogP: 4.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1nnc2c1ncnc2SCc1ccccc1Cl
  • InChi: 1S/C17H11ClFN5S/c18-14-4-2-1-3-11(14)9-25-17-15-16(20-10-21-17)24(23-22-15)13-7-5-12(19)6-8-13/h1-8,10H,9H2
  • InChiKey: VTPOGJIUYKFHCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[(2-chlorophenyl)methylthio]-3-(4-fluorophenyl)triazolo[4,5-e]pyrimidine
  • 7-[(2-chlorobenzyl)thio]-3-(4-fluorophenyl)triazolo[4,5-e]pyrimidine
  • 7-[(2-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-[1,2,3]triazolo[4,5-e]pyrimidine
  • ZINC04166710

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
Toxoplasma gondii DNA polymerase 0.0074 0.329 1
Echinococcus multilocularis geminin 0.0174 0.9028 0.9028
Brugia malayi DNA polymerase family B containing protein 0.0024 0.0438 0.0438
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.5395 0.8837
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1097 0.1097
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0173 0.0283
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2053 0.1913
Plasmodium vivax glutathione reductase, putative 0.0049 0.1822 0.5539
Brugia malayi DNA polymerase delta catalytic subunit 0.0074 0.329 0.329
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2053 0.2053
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0074 0.329 0.329
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0173 0.0173
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0024 0.0438 0.0438
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0024 0.0438 0.0438
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0024 0.0438 0.0438
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0173 0.0173
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0173 0.0173
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0191 1 1
Schistosoma mansoni hypothetical protein 0.0174 0.9028 0.9028
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0024 0.0438 0.0438
Schistosoma mansoni hypothetical protein 0.0037 0.1155 0.1155
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0074 0.329 0.329
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0191 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1822 0.1822
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1155 0.1155
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.5395 0.8837
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1155 0.1155
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1155 0.1155
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0191 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0173 0.0173
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0024 0.0438 0.0438
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.6105 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0191 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.5395 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.6105 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1822 0.5539
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0024 0.0438 0.0438
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0191 1 1
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0074 0.329 0.329
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0191 1 1
Mycobacterium tuberculosis Probable reductase 0.0111 0.5395 0.8837
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0074 0.329 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0173 0.0173
Entamoeba histolytica hypothetical protein 0.0037 0.1155 0.1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0173 1
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0024 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0036 0.1097 0.0941
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2053 0.2053
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0024 0.0438 0.1332
Brugia malayi Thioredoxin reductase 0.0049 0.1822 0.1822
Schistosoma mansoni ap endonuclease 0.002 0.0173 0.0173
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0024 0.0438 0.0438
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0024 0.0438 0.0438
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0024 0.0438 0.0438
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0024 0.0438 0.0438
Echinococcus multilocularis ubiquitin specific protease 41 0.0191 1 1
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0074 0.329 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.1822 0.1679
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0173 0.0173
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0024 0.0438 0.0438
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.006 0.2511 0.2511
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.6105 1
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0024 0.0438 0.0438
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1822 0.1679
Trichomonas vaginalis DNA polymerase II, putative 0.0024 0.0438 0.0438
Brugia malayi DNA polymerase alpha catalytic subunit 0.0024 0.0438 0.0438
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0173 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0074 0.329 0.329
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0191 1 1
Echinococcus granulosus geminin 0.0174 0.9028 0.9028
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1822 0.1822
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0438 0.0438
Plasmodium falciparum thioredoxin reductase 0.0049 0.1822 0.5539
Toxoplasma gondii exonuclease III APE 0.002 0.0173 0.0524
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0173 0.0524
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.5395 0.8837
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0191 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0173 0.0173
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0191 1 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0191 1 1
Loa Loa (eye worm) hypothetical protein 0.0191 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2053 0.1913
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0024 0.0438 0.0438
Plasmodium vivax DNA polymerase alpha, putative 0.0024 0.0438 0.1332
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0074 0.329 0.329
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0191 1 1
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0074 0.329 0.3173
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0173 1
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0024 0.0438 0.0438
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1822 0.1822
Plasmodium falciparum glutathione reductase 0.0049 0.1822 0.5539
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0024 0.0438 0.0438
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0024 0.0438 0.0438
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0024 0.0438 0.0438
Leishmania major trypanothione reductase 0.0049 0.1822 0.1822
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0173 0.0524
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0191 1 1
Toxoplasma gondii thioredoxin reductase 0.0049 0.1822 0.5539
Schistosoma mansoni ap endonuclease 0.002 0.0173 0.0173
Entamoeba histolytica hypothetical protein 0.0037 0.1155 0.1
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0074 0.329 0.329
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0173 0.0173
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0074 0.329 1
Schistosoma mansoni hypothetical protein 0.0036 0.1097 0.1097
Trichomonas vaginalis conserved hypothetical protein 0.0191 1 1
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0024 0.0438 0.0438
Echinococcus granulosus ubiquitin specific protease 41 0.0191 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0191 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.1155 0.1
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0024 0.0438 0.1332
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0438 0.0438
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0074 0.329 0.329
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0024 0.0438 0.1332
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1822 0.2985
Entamoeba histolytica hypothetical protein 0.0037 0.1155 0.1
Trypanosoma brucei trypanothione reductase 0.0049 0.1822 0.1822
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0191 1 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0074 0.329 0.3173
Toxoplasma gondii DNA polymerase family B protein 0.0024 0.0438 0.1332
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0173 0.0173
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.5395 0.8837
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0024 0.0438 0.0438
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0174 0.9028 0.9028
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.027
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0074 0.329 0.329
Brugia malayi glutathione reductase 0.0049 0.1822 0.1822
Brugia malayi hypothetical protein 0.0037 0.1155 0.1155
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.6105 1

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.

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