Detailed information for compound 800629

Basic information

Technical information
  • TDR Targets ID: 800629
  • Name: 2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2 -yl)benzamide
  • MW: 300.311 | Formula: C14H9FN4OS
  • H donors: 1 H acceptors: 4 LogP: 2.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1F)Nc1nnc(s1)c1cccnc1
  • InChi: 1S/C14H9FN4OS/c15-11-6-2-1-5-10(11)12(20)17-14-19-18-13(21-14)9-4-3-7-16-8-9/h1-8H,(H,17,19,20)
  • InChiKey: JOMZJESQGIUPLK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-fluoro-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]benzamide
  • Oprea1_641344
  • Oprea1_864268
  • ZINC00302745
  • VT-00597544

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
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0141 0.0112
Plasmodium vivax hypothetical protein, conserved 0.0039 0.1068 0.1228
Loa Loa (eye worm) glutathione reductase 0.0049 0.1568 0.1447
Echinococcus granulosus sodium and chloride dependent glycine 0.0039 0.1068 0.1025
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0193 0.8353 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0039 0.1068 0.1025
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.1228
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0193 0.8353 1
Schistosoma mansoni ap endonuclease 0.0019 0.0141 0.0094
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1008 0.6314
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0193 0.8353 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0141 0.0112
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Leishmania major trypanothione reductase 0.0049 0.1568 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0962 0.0918
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1568 0.1527
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0048 0.0048
Brugia malayi MH2 domain containing protein 0.0125 0.5115 0.5115
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.5115 0.5045
Loa Loa (eye worm) serotonin transporter b 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1568 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0141 0.0094
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0193 0.8353 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.1008 0.1156
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.1068
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.1008 0.0964
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.514 0.6132
Plasmodium vivax amine transporter, putative 0.0039 0.1068 0.1228
Plasmodium vivax glutathione reductase, putative 0.0049 0.1568 0.183
Schistosoma mansoni sodium/chloride dependent transporter 0.0228 1 1
Echinococcus multilocularis serotonin transporter 0.0228 1 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0039 0.1068 0.1025
Plasmodium falciparum glutathione reductase 0.0049 0.1568 0.183
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Trypanosoma brucei trypanothione reductase 0.0049 0.1568 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0039 0.1068 0.1025
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.1068
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0962 0.0918
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0141 0.0612
Brugia malayi Thioredoxin reductase 0.0049 0.1568 0.1568
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.4548 0.4948
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0141 0.0112
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0416 0.0444
Onchocerca volvulus 0.0228 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0039 0.1068 0.1025
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0039 0.1068 0.1068
Echinococcus multilocularis sodium and chloride dependent glycine 0.0039 0.1068 0.1025
Entamoeba histolytica hypothetical protein 0.0037 0.0962 0.9472
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1008 0.6314
Plasmodium falciparum transporter, putative 0.0039 0.1068 0.1228
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0141 0.0112
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0141 0.0612
Loa Loa (eye worm) inositol-1 0.0037 0.1008 0.0879
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1008 0.1156
Echinococcus granulosus sodium and chloride dependent glycine 0.0039 0.1068 0.1025
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0039 0.1068 0.1025
Schistosoma mansoni inositol monophosphatase 0.0037 0.1008 0.0964
Brugia malayi hypothetical protein 0.0039 0.1068 0.1068
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0141 0.0141
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.4548 0.5419
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0039 0.1068 0.1025
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.1228
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1568 0.183
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0416 0.2424
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0141 0.0094
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Schistosoma mansoni sodium/chloride dependent transporter 0.0039 0.1068 0.1025
Schistosoma mansoni ap endonuclease 0.0019 0.0141 0.0094
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.1068
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0228 1 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0193 0.8353 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0141 0.0112
Loa Loa (eye worm) solute carrier family 6 member 4 0.0228 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.514 0.5734
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0039 0.1068 0.1228
Schistosoma mansoni inositol monophosphatase 0.0037 0.1008 0.0964
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.5115 0.5045
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.514 0.6132
Mycobacterium tuberculosis Probable reductase 0.0113 0.4548 0.5419
Toxoplasma gondii exonuclease III APE 0.0019 0.0141 0.0112
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1008 0.1156
Schistosoma mansoni sodium/chloride dependent transporter 0.0039 0.1068 0.1025
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.1008 0.0964
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.1008 0.1156
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0141 0.0112
Leishmania major hypothetical protein, conserved 0.0025 0.0416 0.2424
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0416 0.2424
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.4548 0.5419
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.1228
Echinococcus multilocularis sodium and chloride dependent glycine 0.0039 0.1068 0.1025
Toxoplasma gondii hypothetical protein 0.0039 0.1068 0.1228
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0416 0.0444
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Toxoplasma gondii hypothetical protein 0.0039 0.1068 0.1228
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.1008 0.1156
Loa Loa (eye worm) hypothetical protein 0.0025 0.0416 0.0279
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.4548 0.5419
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1568 0.1527
Treponema pallidum sodium- and chloride- dependent transporter 0.0228 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1568 0.183
Trichomonas vaginalis hypothetical protein 0.0193 0.8353 1
Loa Loa (eye worm) norepinephrine transporter 0.0228 1 1
Brugia malayi hypothetical protein 0.0025 0.0416 0.0416
Echinococcus granulosus serotonin transporter 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.094
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Brugia malayi hypothetical protein 0.0037 0.0962 0.0962
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0039 0.1068 0.1025
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0193 0.8353 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.1568 0.183
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.4548 0.5419
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.1008 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.514 0.6132
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0962 0.0918
Plasmodium falciparum amino acid transporter, putative 0.0039 0.1068 0.1228
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0039 0.1068 0.094
Loa Loa (eye worm) hypothetical protein 0.0039 0.1068 0.094
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0039 0.1068 0.1025
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0039 0.1068 0.1025
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0141 0.0612
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0416 0.2424
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0141 0.0612
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0141 0.0094
Entamoeba histolytica hypothetical protein 0.0037 0.0962 0.9472
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1008 0.6314
Plasmodium falciparum enoyl-acyl carrier reductase 0.0193 0.8353 1
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1568 0.1447
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.4548 0.5419
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0416 0.0444
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1008 0.6314
Schistosoma mansoni hypothetical protein 0.0037 0.0962 0.0918
Toxoplasma gondii thioredoxin reductase 0.0049 0.1568 0.183
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0193 0.8353 1
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0962 0.9472
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0823 0.0933
Entamoeba histolytica hypothetical protein 0.0037 0.0962 0.9472
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0141 0.0112
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.1008 0.1156
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0416 0.0444
Brugia malayi Inositol-1 0.0037 0.1008 0.1008
Brugia malayi glutathione reductase 0.0049 0.1568 0.1568

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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