Detailed information for compound 1541783

Basic information

Technical information
  • TDR Targets ID: 1541783
  • Name: N-(3,4-difluorophenyl)-2-(4-pyridin-2-ylpiper azin-1-yl)acetamide
  • MW: 332.348 | Formula: C17H18F2N4O
  • H donors: 1 H acceptors: 2 LogP: 2.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)F)F)CN1CCN(CC1)c1ccccn1
  • InChi: 1S/C17H18F2N4O/c18-14-5-4-13(11-15(14)19)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)
  • InChiKey: QPZZEZLYZROVHN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3,4-difluorophenyl)-2-[4-(2-pyridyl)piperazin-1-yl]acetamide
  • N-(3,4-difluorophenyl)-2-[4-(2-pyridyl)-1-piperazinyl]acetamide
  • N-(3,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide
  • ST028940

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 tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Plasmodium falciparum thioredoxin reductase 0.0047 0.2281 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.6751 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.764 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.054 0.237
Echinococcus granulosus insulin receptor 0.0048 0.2373 0.2373
Mycobacterium ulcerans hypothetical protein 0.0023 0.054 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0081 0.4813 0.4813
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.054 0.237
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3466 0.3401
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.054 0.5
Schistosoma mansoni tyrosine kinase 0.008 0.475 0.475
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Trypanosoma brucei trypanothione reductase 0.0047 0.2281 1
Echinococcus multilocularis epidermal growth factor receptor 0.0081 0.4813 0.4813
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.054 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.054 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0048 0.2373 0.2373
Loa Loa (eye worm) TK/INSR protein kinase 0.0048 0.2373 0.2297
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.6751 0.8837
Loa Loa (eye worm) glutathione reductase 0.0047 0.2281 0.2204
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0098 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0048 0.2373 0.2373
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.7602 0.7578
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.2281 0.2281
Plasmodium vivax glutathione reductase, putative 0.0047 0.2281 1
Schistosoma mansoni tyrosine kinase 0.0081 0.4813 0.4813
Loa Loa (eye worm) TK/EGFR protein kinase 0.015 1 1
Schistosoma mansoni tyrosine kinase 0.008 0.475 0.475
Brugia malayi MH2 domain containing protein 0.0118 0.7602 0.7602
Echinococcus granulosus epidermal growth factor receptor 0.0081 0.4813 0.4813
Brugia malayi RNA binding protein 0.0063 0.3466 0.3466
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3466 0.3466
Onchocerca volvulus 0.0023 0.054 0.5
Treponema pallidum NADH oxidase 0.0016 0 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.2281 0.2204
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.054 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0048 0.2373 0.2373
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3466 0.3466
Mycobacterium tuberculosis Probable reductase 0.0107 0.6751 0.8837
Loa Loa (eye worm) hypothetical protein 0.0023 0.054 0.0447
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.054 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.054 0.0447
Brugia malayi Thioredoxin reductase 0.0047 0.2281 0.2281
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.054 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.2281 0.2281
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.054 0.0707
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.6751 0.8837
Brugia malayi glutathione reductase 0.0047 0.2281 0.2281
Brugia malayi AMP-binding enzyme family protein 0.0023 0.054 0.054
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.054 1
Brugia malayi TAR-binding protein 0.0063 0.3466 0.3466
Trichomonas vaginalis mercuric reductase, putative 0.0016 0 0.5
Schistosoma mansoni tyrosine kinase 0.0081 0.4813 0.4813
Echinococcus multilocularis epidermal growth factor receptor 0.015 1 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.2281 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.764 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2281 1
Echinococcus granulosus epidermal growth factor receptor 0.015 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3466 0.3466
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.054 1
Schistosoma mansoni tyrosine kinase 0.008 0.475 0.475
Plasmodium falciparum glutathione reductase 0.0047 0.2281 1
Echinococcus multilocularis 0.0047 0.226 0.226
Trichomonas vaginalis glutathione reductase, putative 0.0016 0 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.6751 0.8837
Echinococcus multilocularis insulin receptor 0.0048 0.2373 0.2373
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0035
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0098 0.0128
Schistosoma mansoni tyrosine kinase 0.0048 0.2373 0.2373
Loa Loa (eye worm) RNA binding protein 0.0063 0.3466 0.3401
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0098 0.043
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0098 0.043
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.764 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.2281 0.2985
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3466 0.3401
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3466 0.3466
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.054 0.0707
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3466 0.3466
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.6751 0.8749
Schistosoma mansoni tyrosine kinase 0.015 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.054 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.054 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3466 0.3466
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.764 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0098 0.1815
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.054 0.237
Schistosoma mansoni tyrosine kinase 0.0048 0.2373 0.2373
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.2281 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.054 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3466 0.3466
Leishmania major trypanothione reductase 0.0047 0.2281 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.7602 0.7578
Brugia malayi AMP-binding enzyme family protein 0.0023 0.054 0.054
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.6751 0.8837
Echinococcus granulosus tar DNA binding protein 0.0063 0.3466 0.3466
Brugia malayi AMP-binding enzyme family protein 0.0023 0.054 0.054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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