Detailed information for compound 792776

Basic information

Technical information
  • TDR Targets ID: 792776
  • Name: 4-[[(2-fluorophenyl)methylamino]methyl]benzoi c acid
  • MW: 259.276 | Formula: C15H14FNO2
  • H donors: 2 H acceptors: 2 LogP: 0.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1CNCc1ccc(cc1)C(=O)O
  • InChi: 1S/C15H14FNO2/c16-14-4-2-1-3-13(14)10-17-9-11-5-7-12(8-6-11)15(18)19/h1-8,17H,9-10H2,(H,18,19)
  • InChiKey: JPPGBDKYMYLKFV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(2-fluorobenzyl)amino]methyl]benzoic acid
  • A3855/0163701
  • AN-465/42886317
  • 4-[(2-fluorophenyl)methylazaniumylmethyl]benzoate
  • 4-[(2-fluorophenyl)methylammoniomethyl]benzoate
  • 4-[(2-fluorobenzyl)ammoniomethyl]benzoate
  • ZINC04657605

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 lipase LipD 0.0038 0.0351 0.5145
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0009
Echinococcus granulosus intermediate filament protein 0.0029 0.0204 0.0204
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0324 0.0324
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0351 0.0351
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0209 0.0209
Brugia malayi intermediate filament protein 0.0029 0.0204 0.0716
Brugia malayi hypothetical protein 0.0019 0.0058 0.0205
Brugia malayi Kinesin motor domain containing protein 0.0026 0.0161 0.0564
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0505 0.1772
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0351 0.7467
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0001 0.0003
Schistosoma mansoni hypothetical protein 0.0036 0.0324 0.0324
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0674 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0058 0.0058
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0033 0.0271 0.0952
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0209 0.0209
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1544 0.4392
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0058 0.1078
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0351 0.0979
Trypanosoma brucei trypanothione reductase 0.0046 0.0467 1
Brugia malayi hypothetical protein 0.0027 0.0176 0.0616
Mycobacterium tuberculosis Conserved protein 0.0038 0.0351 0.0979
Brugia malayi glutathione reductase 0.0046 0.0467 0.1638
Plasmodium falciparum glutathione reductase 0.0046 0.0467 1
Leishmania major hypothetical protein, conserved 0.0027 0.0176 0.2506
Schistosoma mansoni lipoxygenase 0.0053 0.0585 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.1231
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0209 0.0209
Entamoeba histolytica hypothetical protein 0.0036 0.0324 1
Leishmania major trypanothione reductase 0.0046 0.0467 0.689
Echinococcus multilocularis RUN 0.0019 0.0058 0.0058
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0176 0.3637
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1544 0.4392
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0351 0.0979
Brugia malayi beta-lactamase family protein 0.0038 0.0351 0.1231
Brugia malayi Pre-SET motif family protein 0.0201 0.2853 1
Entamoeba histolytica hypothetical protein 0.0036 0.0324 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.1231
Loa Loa (eye worm) hypothetical protein 0.0019 0.0058 0.0205
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0351 0.7467
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0176 0.3637
Plasmodium vivax SET domain protein, putative 0.0029 0.0209 0.4358
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0351 0.0979
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0009 0.0032
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0505 0.1772
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0467 0.0467
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0351 0.1231
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0058 0.1078
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.1231
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0674 0.0674
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0176 0.3637
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0176 0.3637
Echinococcus multilocularis musashi 0.0029 0.0204 0.0204
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0505 0.1772
Loa Loa (eye worm) hypothetical protein 0.0028 0.0196 0.0688
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0324 0.0324
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.1619 0.5675
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0209 0.0209
Entamoeba histolytica hypothetical protein 0.0036 0.0324 1
Echinococcus granulosus lamin 0.0029 0.0204 0.0204
Giardia lamblia Kinesin-5 0.0026 0.0161 1
Onchocerca volvulus 0.0029 0.0204 0.0453
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0009 0.5
Schistosoma mansoni loxhd1 0.0019 0.0058 0.0058
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0351 0.7467
Toxoplasma gondii thioredoxin reductase 0.0046 0.0467 1
Treponema pallidum NADH oxidase 0.0016 0.0009 0.5
Onchocerca volvulus 0.0029 0.0204 0.0453
Brugia malayi MH2 domain containing protein 0.0121 0.1619 0.5675
Brugia malayi Doublecortin family protein 0.0019 0.0058 0.0205
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0271 0.0952
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0351 0.0979
Onchocerca volvulus 0.0038 0.0351 0.0909
Schistosoma mansoni rab6-interacting 0.0019 0.0058 0.0058
Mycobacterium ulcerans beta-lactamase 0.0038 0.0351 0.5145
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0351 0.0351
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.1619 0.5675
Brugia malayi beta-lactamase family protein 0.0038 0.0351 0.1231
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1544 0.4392
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0351 0.1231
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0674 0.2363
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0209 0.0209
Mycobacterium tuberculosis Conserved protein 0.0038 0.0351 0.0979
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0674 0.1903
Schistosoma mansoni hypothetical protein 0.0033 0.0271 0.0271
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0058 0.0058
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0058 0.0058
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0176 0.3637
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0351 0.1046
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0351 0.0979
Loa Loa (eye worm) hypothetical protein 0.0019 0.0058 0.0205
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0324 0.0324
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0176 0.3637
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0009 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.3504 1
Brugia malayi beta-lactamase 0.0038 0.0351 0.1231
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0053 0.0585 0.0585
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1366 0.3881
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0467 0.1311
Plasmodium falciparum kinesin-5 0.0026 0.0161 0.3314
Trichomonas vaginalis esterase, putative 0.0038 0.0351 0.1046
Schistosoma mansoni lipoxygenase 0.0019 0.0058 0.0058
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0674 1
Onchocerca volvulus 0.0038 0.0351 0.0909
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0009 0.5
Mycobacterium tuberculosis Conserved protein 0.0038 0.0351 0.0979
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0351 0.0351
Trichomonas vaginalis set domain proteins, putative 0.0229 0.3279 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.056 0.1962
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0467 0.1638
Leishmania major hypothetical protein, conserved 0.0038 0.0351 0.5145
Echinococcus granulosus RUN 0.0019 0.0058 0.0058
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1544 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0204 0.0716
Echinococcus granulosus lamin dm0 0.0029 0.0204 0.0204
Echinococcus multilocularis kinesin family 1 0.0198 0.2805 0.2805
Brugia malayi hypothetical protein 0.0036 0.0324 0.1137
Loa Loa (eye worm) hypothetical protein 0.0027 0.0176 0.0616
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0204 0.0716
Echinococcus granulosus kinesin family 1 0.0198 0.2805 0.2805
Schistosoma mansoni microtubule-associated protein tau 0.0667 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0351 0.1046
Onchocerca volvulus 0.0229 0.3279 1
Schistosoma mansoni polycystin 1-related 0.0019 0.0058 0.0058
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0209 0.4358
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0058 0.0058
Echinococcus multilocularis lamin dm0 0.0029 0.0204 0.0204
Brugia malayi hypothetical protein 0.0017 0.0031 0.0107
Toxoplasma gondii ABC1 family protein 0.0038 0.0351 0.7467
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0001 0.0003
Plasmodium falciparum thioredoxin reductase 0.0046 0.0467 1
Schistosoma mansoni hypothetical protein 0.0019 0.0058 0.0058
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0058 0.0058
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0674 0.0674
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0009
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0058 0.0205
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1366 0.3881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0172 0.2411 0.2411
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0674 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.0467 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.1231
Schistosoma mansoni lamin 0.0029 0.0204 0.0204
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.0161 0.3314
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0351 0.0351
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1366 0.3881
Loa Loa (eye worm) hypothetical protein 0.0048 0.0505 0.1772
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.1231
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0192 0.0192
Brugia malayi Thioredoxin reductase 0.0046 0.0467 0.1638
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1366 0.3881
Mycobacterium tuberculosis Probable reductase 0.0104 0.1366 0.3881
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0351 0.0979
Schistosoma mansoni kinesin eg-5 0.0026 0.0161 0.0161
Echinococcus multilocularis microtubule associated protein 2 0.0667 1 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0467 0.1638
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0351 0.5145
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1366 0.8504
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0467 1
Schistosoma mansoni rab6-interacting 0.0019 0.0058 0.0058
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0176 0.3637
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1366 0.3881
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0351 0.0979
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0351 0.1046
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0351 0.1046
Loa Loa (eye worm) beta-lactamase 0.0038 0.0351 0.1231
Brugia malayi Pre-SET motif family protein 0.0029 0.0209 0.0732
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0351 0.1046
Plasmodium vivax kinesin-5 0.0026 0.0161 0.3314
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0058 0.0058
Schistosoma mansoni lamin 0.0029 0.0204 0.0204
Schistosoma mansoni intermediate filament proteins 0.0029 0.0204 0.0204
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0209 0.0209
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.2853 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0053 0.0585 0.0585
Entamoeba histolytica hypothetical protein 0.0036 0.0324 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0204 0.0716
Loa Loa (eye worm) hypothetical protein 0.0029 0.0209 0.0732
Mycobacterium ulcerans hypothetical protein 0.0038 0.0351 0.5145
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0351 0.5145
Echinococcus multilocularis lamin 0.0029 0.0204 0.0204
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.0161 0.0564
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0351 0.7467
Onchocerca volvulus 0.0038 0.0351 0.0909
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0009
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0467 1
Onchocerca volvulus 0.0029 0.0209 0.0467
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0674 0.0674
Brugia malayi hypothetical protein 0.0019 0.0058 0.0205
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.1231
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0204 0.0716

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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