Detailed information for compound 1106132

Basic information

Technical information
  • TDR Targets ID: 1106132
  • Name: N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)piper azin-1-yl]acetamide
  • MW: 331.36 | Formula: C18H19F2N3O
  • H donors: 1 H acceptors: 1 LogP: 2.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)F)CN1CCN(CC1)c1ccccc1F
  • InChi: 1S/C18H19F2N3O/c19-14-4-3-5-15(12-14)21-18(24)13-22-8-10-23(11-9-22)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
  • InChiKey: ZIDQBSOXRCGTOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)-1-piperazinyl]acetamide
  • N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanamide
  • T5654319

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Glycogen phosphorylase, muscle form Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Brugia malayi carbohydrate phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium parvum glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum Glycogen phosphorylase, brain form, putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis Glycosyl transferase, family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium hominis glycogen phosphorylase 1 Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Loa Loa (eye worm) glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Onchocerca volvulus Glycogen phosphorylase homolog Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Neospora caninum hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus Glycosyl transferase family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Giardia lamblia Glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Chlamydia trachomatis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Glycogen phosphorylase, muscle form   843 aa 840 aa 70.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.2245 0.2245
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0087 0.0087
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.4166 0.9751
Schistosoma mansoni hypothetical protein 0.0189 0.6966 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4166 0.593
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.4272 1
Echinococcus granulosus glycogen phosphorylase 0.013 0.4272 0.612
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0087 0.0087
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.2691 0.2691
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.2245 0.2245
Echinococcus multilocularis glycogen phosphorylase 0.013 0.4272 0.612
Mycobacterium tuberculosis Probable reductase 0.0087 0.2245 0.2245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.3359 0.7863
Echinococcus granulosus Glycosyl transferase family 35 0.013 0.4272 0.612
Plasmodium falciparum glutathione reductase 0.0038 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0087 1
Chlamydia trachomatis glycogen phosphorylase 0.013 0.4272 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0087 0.0204
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.4166 0.9751
Loa Loa (eye worm) TAR-binding protein 0.0128 0.4166 0.9751
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0087 0.0087
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.4272 1
Brugia malayi beta-lactamase family protein 0.004 0.0087 0.0204
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0056 0.0852 0.0852
Echinococcus multilocularis Glycosyl transferase, family 35 0.013 0.4272 0.612
Echinococcus granulosus glycogen phosphorylase 0.013 0.4272 0.612
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.3359 0.7863
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0087 0.0087
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0087 0.0087
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1742 0.4077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.3359 0.7863
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0087 0.0092
Leishmania major hypothetical protein, conserved 0.004 0.0087 1
Loa Loa (eye worm) RNA binding protein 0.0128 0.4166 0.9751
Echinococcus multilocularis geminin 0.0189 0.6966 1
Toxoplasma gondii ABC1 family protein 0.004 0.0087 1
Schistosoma mansoni glycogen phosphorylase 0.013 0.4272 0.6084
Loa Loa (eye worm) hypothetical protein 0.0076 0.1742 0.4077
Brugia malayi beta-lactamase family protein 0.004 0.0087 0.0204
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0087 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0087 0.0204
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0056 0.0852 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0087 0.0204
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.2245 0.2245
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0087 0.0087
Echinococcus multilocularis glycogen phosphorylase 0.013 0.4272 0.612
Mycobacterium tuberculosis Conserved protein 0.004 0.0087 0.0087
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.2691 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4166 0.593
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.4272 1
Brugia malayi TAR-binding protein 0.0128 0.4166 0.9751
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3778 0.8844
Mycobacterium tuberculosis Conserved protein 0.004 0.0087 0.0087
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.2245 0.8287
Brugia malayi carbohydrate phosphorylase 0.013 0.4272 1
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0111 0.3359 0.7863
Brugia malayi RNA binding protein 0.0128 0.4166 0.9751
Mycobacterium tuberculosis Conserved protein 0.004 0.0087 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4166 0.593
Echinococcus granulosus geminin 0.0189 0.6966 1
Giardia lamblia Glycogen phosphorylase 0.013 0.4272 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0087 0.0204
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.2245 0.2245
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3778 0.8844
Loa Loa (eye worm) hypothetical protein 0.004 0.0087 0.0204
Plasmodium falciparum thioredoxin reductase 0.0038 0 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.2245 0.2245
Schistosoma mansoni hypothetical protein 0.0076 0.1742 0.2406
Loa Loa (eye worm) glycogen phosphorylase 0.013 0.4272 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.2691 0.2691
Schistosoma mansoni hypothetical protein 0.0189 0.6966 1
Brugia malayi MH2 domain containing protein 0.012 0.3778 0.8844
Plasmodium vivax hypothetical protein, conserved 0.004 0.0087 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4166 0.593
Echinococcus granulosus tar DNA binding protein 0.0128 0.4166 0.5967
Loa Loa (eye worm) hypothetical protein 0.004 0.0087 0.0204
Loa Loa (eye worm) hypothetical protein 0.004 0.0087 0.0204
Echinococcus multilocularis tar DNA binding protein 0.0128 0.4166 0.5967
Schistosoma mansoni glycogen phosphorylase 0.0056 0.0852 0.1113
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.4272 1
Brugia malayi beta-lactamase 0.004 0.0087 0.0204
Onchocerca volvulus Glycogen phosphorylase homolog 0.013 0.4272 1
Schistosoma mansoni glycogen phosphorylase 0.013 0.4272 0.6084
Schistosoma mansoni tar DNA-binding protein 0.0128 0.4166 0.593
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0087 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.2691 0.2691
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0087 0.0204
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0087 0.0092
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0087 0.0204

Activities

Activity type Activity value Assay description Source Reference
FC (binding) = 1.01 Activation of human glucokinase expressed in Escherichia coli BL21(DE3) at 10 uM by G6PDH-coupled spectrometry relative to untreated control ChEMBL. 19758809
IC50 (binding) = 18.7 uM Inhibition of rabbit muscle glycogen phosphorylase a assessed as glucose-1-phosphate release ChEMBL. 19758809

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

1 literature reference was collected for this gene.

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