Detailed information for compound 1836860

Basic information

Technical information
  • TDR Targets ID: 1836860
  • Name: ethyl 3-(4-chloro-2-fluoro-5-propan-2-yloxyph enyl)-7-methylsulfanyl-4-oxopyrazolo[5,1-d][1 ,2,3,5]tetrazine-8-carboxylate
  • MW: 441.864 | Formula: C17H17ClFN5O4S
  • H donors: 0 H acceptors: 3 LogP: 4.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(SC)nn2c1nnn(c2=O)c1cc(OC(C)C)c(cc1F)Cl
  • InChi: 1S/C17H17ClFN5O4S/c1-5-27-16(25)13-14-20-22-23(17(26)24(14)21-15(13)29-4)11-7-12(28-8(2)3)9(18)6-10(11)19/h6-8H,5H2,1-4H3
  • InChiKey: UOTKOUJWALBVQC-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 3-(4-chloro-2-fluoro-5-isopropoxy-phenyl)-7-methylsulfanyl-4-oxo-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
  • 3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-7-(methylthio)-4-oxo-8-pyrazolo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester
  • 3-(4-chloro-2-fluoro-5-isopropoxy-phenyl)-4-keto-7-(methylthio)pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid ethyl ester
  • ethyl 3-(4-chloro-2-fluoro-5-propan-2-yloxy-phenyl)-7-methylsulfanyl-4-oxo-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

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
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.015 0.4669 0.4669
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.015 0.4669 0.5047
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0218
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0102 0.5
Schistosoma mansoni alcohol dehydrogenase 0.015 0.4669 1
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0102 0.5
Mycobacterium ulcerans oxidoreductase 0.0021 0.0102 0.0102
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0102 1
Loa Loa (eye worm) alcohol dehydrogenase class III 0.015 0.4669 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0102 1
Echinococcus multilocularis 0.0021 0.0102 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0021 0.0102 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0021 0.0102 0.0218
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0218
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.015 0.4669 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0102 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0102 0.011
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0021 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0218
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0132 0.402 0.4346
Echinococcus multilocularis protoporphyrinogen oxidase 0.0021 0.0102 1
Schistosoma mansoni amine oxidase 0.0021 0.0102 0.0218
Plasmodium falciparum protoporphyrinogen oxidase 0.0021 0.0102 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0218
Brugia malayi amine oxidase, flavin-containing family protein 0.0021 0.0102 0.0218
Toxoplasma gondii histone lysine-specific demethylase 0.0021 0.0102 0.0218
Trypanosoma cruzi UDP-galactopyranose mutase 0.0021 0.0102 1
Onchocerca volvulus 0.0021 0.0102 0.0218
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0021 0.0102 0.0218
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.015 0.4669 0.4669
Mycobacterium ulcerans monoamine oxidase 0.0021 0.0102 0.0102
Onchocerca volvulus Putative alcohol dehydrogenase 0.015 0.4669 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0021 0.0102 0.0218
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0021 0.0102 0.5
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0132 0.402 0.4346
Brugia malayi hypothetical protein 0.0021 0.0102 0.0218
Leishmania major UDP-galactopyranose mutase 0.0021 0.0102 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0021 0.0102 0.5
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.015 0.4669 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.015 0.4669 0.4669
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0021 0.0102 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0021 0.0102 0.5
Mycobacterium ulcerans dehydrogenase 0.0021 0.0102 0.0102
Brugia malayi SWIRM domain containing protein 0.0021 0.0102 0.0218
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.028 0.925 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0218
Brugia malayi Alcohol dehydrogenase class III 0.015 0.4669 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0021 0.0102 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0102 0.011
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.015 0.4669 0.4669
Loa Loa (eye worm) hypothetical protein 0.0021 0.0102 0.0218
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0021 0.0102 0.0218
Schistosoma mansoni amine oxidase 0.0021 0.0102 0.0218
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.015 0.4669 0.4669

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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