Detailed information for compound 836479

Basic information

Technical information
  • TDR Targets ID: 836479
  • Name: 1-methyl-N-[3-(trifluoromethyl)phenyl]-4H-chr omeno[3,4-d]pyrazole-3-carboxamide
  • MW: 373.329 | Formula: C19H14F3N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nn(c2c1COc1c2cccc1)C)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C19H14F3N3O2/c1-25-17-13-7-2-3-8-15(13)27-10-14(17)16(24-25)18(26)23-12-6-4-5-11(9-12)19(20,21)22/h2-9H,10H2,1H3,(H,23,26)
  • InChiKey: VXHHQRYFORKPDE-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0037 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1443 0.1443
Trypanosoma cruzi hypothetical protein, conserved 0.029 0.929 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.1443 0.1443
Schistosoma mansoni amidase 0.0309 1 1
Echinococcus granulosus carboxylesterase 5A 0.017 0.489 0.489
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1443 0.1443
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0043 0.0227 0.0227
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1443 0.1443
Loa Loa (eye worm) carboxylesterase 0.0043 0.0227 0.0227
Echinococcus multilocularis acetylcholinesterase 0.017 0.489 0.489
Brugia malayi TAR-binding protein 0.0076 0.1443 0.1443
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0043 0.0227 0.0227
Mycobacterium ulcerans carboxylesterase, LipT 0.0181 0.5288 1
Brugia malayi hypothetical protein 0.0043 0.0227 0.0227
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0 0.5
Brugia malayi Muscleblind-like protein 0.0145 0.3971 0.3971
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.029 0.929 0.929
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0 0.5
Loa Loa (eye worm) carboxylesterase 0.017 0.489 0.489
Trichomonas vaginalis lipase containing protein, putative 0.029 0.929 1
Schistosoma mansoni hypothetical protein 0.0165 0.4689 0.4689
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1443 0.1443
Echinococcus granulosus geminin 0.0165 0.4689 0.4689
Echinococcus granulosus fatty acid amide hydrolase 1 0.0309 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0043 0.0227 0.0227
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0037 0 0.5
Echinococcus multilocularis geminin 0.0165 0.4689 0.4689
Loa Loa (eye worm) hypothetical protein 0.017 0.489 0.489
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0309 1 1
Echinococcus granulosus muscleblind protein 0.0145 0.3971 0.3971
Brugia malayi Carboxylesterase family protein 0.0043 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Schistosoma mansoni neuroligin 3 (S09 family) 0.0043 0.0227 0.0227
Echinococcus granulosus BC026374 protein S09 family 0.0043 0.0227 0.0227
Echinococcus multilocularis carboxylesterase 5A 0.017 0.489 0.489
Brugia malayi Carboxylesterase family protein 0.0043 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0309 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1443 0.1443
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.029 0.929 0.929
Echinococcus granulosus fatty acid amide hydrolase 1 0.0309 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0043 0.0227 0.0227
Trypanosoma cruzi hypothetical protein, conserved 0.029 0.929 1
Brugia malayi Carboxylesterase family protein 0.017 0.489 0.489
Leishmania major hypothetical protein, conserved 0.029 0.929 1
Onchocerca volvulus 0.029 0.929 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1443 0.1443
Loa Loa (eye worm) hypothetical protein 0.017 0.489 0.489
Trypanosoma brucei lipase domain protein, putative 0.029 0.929 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.017 0.489 0.489
Schistosoma mansoni gliotactin 0.0043 0.0227 0.0227
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0043 0.0227 0.043
Loa Loa (eye worm) carboxylesterase 0.0043 0.0227 0.0227
Brugia malayi Carboxylesterase family protein 0.017 0.489 0.489
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0 0.5
Trypanosoma brucei lipase domain protein, putative 0.029 0.929 1
Echinococcus granulosus neuroligin 0.0043 0.0227 0.0227
Echinococcus multilocularis acetylcholinesterase 0.017 0.489 0.489
Echinococcus granulosus para nitrobenzyl esterase 0.0043 0.0227 0.0227
Brugia malayi Carboxylesterase family protein 0.0043 0.0227 0.0227
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1443 0.1443
Brugia malayi Carboxylesterase family protein 0.0043 0.0227 0.0227
Echinococcus multilocularis muscleblind protein 0.0145 0.3971 0.3971
Trichomonas vaginalis lipase containing protein, putative 0.029 0.929 1
Echinococcus granulosus acetylcholinesterase 0.017 0.489 0.489
Schistosoma mansoni BC026374 protein (S09 family) 0.0043 0.0227 0.0227
Loa Loa (eye worm) RNA binding protein 0.0076 0.1443 0.1443
Loa Loa (eye worm) lipase 0.029 0.929 0.929
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1443 0.1443
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1443 0.1443
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0043 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0145 0.3971 0.3971
Echinococcus granulosus acetylcholinesterase 0.017 0.489 0.489
Mycobacterium tuberculosis Carboxylesterase LipT 0.0181 0.5288 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.3971 0.3971
Loa Loa (eye worm) acetylcholinesterase 1 0.017 0.489 0.489
Schistosoma mansoni acetylcholinesterase 0.0043 0.0227 0.0227
Echinococcus multilocularis neuroligin 0.0043 0.0227 0.0227
Schistosoma mansoni fatty-acid amide hydrolase 0.0309 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.4689 0.4689
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0043 0.0227 0.043
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0309 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0043 0.0227 0.0227
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0037 0 0.5
Echinococcus multilocularis muscleblind protein 1 0.0145 0.3971 0.3971
Brugia malayi RNA binding protein 0.0076 0.1443 0.1443
Brugia malayi Lipase family protein 0.029 0.929 0.929
Echinococcus multilocularis para nitrobenzyl esterase 0.0043 0.0227 0.0227

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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