Detailed information for compound 802532

Basic information

Technical information
  • TDR Targets ID: 802532
  • Name: N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-meth ylthieno[4,5-d]pyrazole-5-carboxamide
  • MW: 381.423 | Formula: C20H16FN3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1nn(c2c1cc(s2)C(=O)Nc1ccccc1F)C
  • InChi: 1S/C20H16FN3O2S/c1-24-20-14(18(23-24)12-6-5-7-13(10-12)26-2)11-17(27-20)19(25)22-16-9-4-3-8-15(16)21/h3-11H,1-2H3,(H,22,25)
  • InChiKey: XWZBHRTYWOEDNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide
  • N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methyl-5-thieno[4,5-d]pyrazolecarboxamide
  • EU-0059923

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
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0201 0.1135 0.3528
Loa Loa (eye worm) MBCTL1 0.0058 0.0178 0.0248
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0355 0.2169 0.6883
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0131 0.0068
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0568 0.2195
Loa Loa (eye worm) hypothetical protein 0.0051 0.0131 0.0145
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0568 0.1095
Brugia malayi mbt repeat family protein 0.0051 0.0131 0.0146
Echinococcus multilocularis 6 phosphofructokinase 0.0116 0.0568 0.1689
Loa Loa (eye worm) hypothetical protein 0.0728 0.4661 1
Onchocerca volvulus 0.0051 0.0131 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0568 0.2617
Brugia malayi 6-phosphofructokinase 0.0116 0.0568 0.1096
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0237 0.138 0.6154
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0131 0.5
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1525 1 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0135 0.0693 0.2806
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0131 0.0273
Schistosoma mansoni hypothetical protein 0.031 0.1864 0.8516
Loa Loa (eye worm) hypothetical protein 0.0058 0.0178 0.0248
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0355 0.2169 0.3912
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0237 0.138 0.4324
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0568 0.2617
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0131 0.0068
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0355 0.2169 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0237 0.138 0.2863
Brugia malayi mbt repeat family protein 0.0051 0.0131 0.0146
Trypanosoma brucei C-8 sterol isomerase, putative 0.0728 0.4661 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0116 0.0568 0.0528
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0355 0.2169 0.6883
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1525 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0117 0.0228
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0355 0.2169 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0117 0.0116
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0355 0.2169 1
Echinococcus multilocularis neuropeptide receptor A26 0.0499 0.313 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0355 0.2169 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0178 0.0426
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0568 0.2195
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0135 0.0693 0.3195
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0217 0.0552
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0728 0.4661 1
Loa Loa (eye worm) phosphofructokinase 0.0116 0.0568 0.1095
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0178 0.0298
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0178 0.0426
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0135 0.0693 0.3195
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0728 0.4661 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0178 0.0426
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0355 0.2169 1
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0131 0.0273
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0237 0.138 0.6362
Echinococcus granulosus 6 phosphofructokinase 0.0116 0.0568 0.1689
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0131 0.0068
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0131 0.0273
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0568 0.2617
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0568 0.2617
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0568 0.2617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0117 0.0228
Loa Loa (eye worm) hypothetical protein 0.0046 0.0095 0.0067
Echinococcus granulosus neuropeptide receptor A26 0.0499 0.313 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0178 0.0426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0117 0.0228
Leishmania major C-8 sterol isomerase-like protein 0.0728 0.4661 1
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0355 0.2169 0.4579
Loa Loa (eye worm) hypothetical protein 0.0372 0.2279 0.4819
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0131 0.0273
Echinococcus granulosus neuropeptide s receptor 0.0499 0.313 1
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0038 0.0042 0.0042
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0116 0.0568 0.0528
Plasmodium falciparum phenylalanine--tRNA ligase 0.0237 0.138 0.6362
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0178 0.0249
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.1135 0.3528
Brugia malayi Bromodomain containing protein 0.008 0.0326 0.0571
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0355 0.2169 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0117 0.0228
Brugia malayi phosphofructokinase 0.0116 0.0568 0.1096
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0568 0.1095
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0117 0.0115
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0237 0.138 0.2862
Brugia malayi 6-phosphofructokinase 0.0116 0.0568 0.1096
Echinococcus multilocularis neuropeptide s receptor 0.0499 0.313 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0081 0.0037
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0135 0.0693 0.3195
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0355 0.2169 1
Schistosoma mansoni bromodomain containing protein 0.0068 0.0243 0.0612
Loa Loa (eye worm) hypothetical protein 0.0076 0.0296 0.0504
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0568 0.2617
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0131 0.0145
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0355 0.2169 0.3912
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0237 0.138 0.4324
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0217 0.0552
Loa Loa (eye worm) hypothetical protein 0.0355 0.2169 0.4578
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0237 0.138 0.6362
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0568 0.2617
Plasmodium falciparum phenylalanine--tRNA ligase 0.0173 0.0945 0.4357
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.022 0.1266 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1525 1 1
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0355 0.2169 0.3912
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0355 0.2169 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0116 0.0568 0.2617

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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