Detailed information for compound 631641

Basic information

Technical information
  • TDR Targets ID: 631641
  • Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2 -yl]-4-fluorobenzamide
  • MW: 359.375 | Formula: C17H14FN3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1nnc(s1)NC(=O)c1ccc(cc1)F
  • InChi: 1S/C17H14FN3O3S/c1-23-13-8-5-11(9-14(13)24-2)16-20-21-17(25-16)19-15(22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,19,21,22)
  • InChiKey: XIVCVXKUWFEWQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-fluoro-benzamide
  • Oprea1_520639
  • BIM-0027398.P001
  • ZINC01196002
  • Oprea1_776555
  • CBMicro_027469

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
Loa Loa (eye worm) hypothetical protein 0.0058 0.1169 0.1687
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0261 0.0299
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0255 0.0302
Loa Loa (eye worm) oxidoreductase 0.0012 0.0115 0.0076
Loa Loa (eye worm) hypothetical protein 0.0031 0.0544 0.0731
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.001 0.0065 0.0065
Schistosoma mansoni importin beta-1 0.0028 0.0474 0.0474
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0148 0.0225
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.001 0.0065 0.0065
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0179 0.3911 1
Brugia malayi CXXC zinc finger family protein 0.006 0.1201 0.1801
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0074 0.0074
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.001 0.0074 0.0009
Echinococcus granulosus snurportin 1 0.0297 0.6612 0.659
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0014
Loa Loa (eye worm) hypothetical protein 0.0058 0.1169 0.1687
Leishmania major importin beta-1 subunit, putative 0.0023 0.0354 1
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0074 0.0074
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0012 0.0115 0.013
Schistosoma mansoni sodium/chloride dependent transporter 0.001 0.0065 0.0065
Loa Loa (eye worm) retinol dehydrogenase 12 0.0012 0.0115 0.0076
Onchocerca volvulus 0.006 0.1201 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Echinococcus multilocularis cpg binding protein 0.0063 0.1279 0.1222
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0354 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0058 0.1169 0.1169
Chlamydia trachomatis oxoacy-ACP reductase 0.0012 0.0115 0.013
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0306 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0354 1
Loa Loa (eye worm) glutaminase 2 0.0287 0.6371 0.9633
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0306 0.0627
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0148 0.0225
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0598 0.0931
Brugia malayi Importin beta-1 subunit 0.0028 0.0474 0.0648
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0012 0.0115 0.013
Onchocerca volvulus 0.0012 0.0115 0.044
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0651 0.059
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0306 0.0368
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0178 0.0113
Trichomonas vaginalis ran, putative 0.0021 0.0306 0.0473
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0035 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0148 0.0225
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0012 0.0115 0.0294
Treponema pallidum sodium- and chloride- dependent transporter 0.0058 0.1169 0.5
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0306 0.0243
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0178 0.0178
Trichomonas vaginalis helicase, putative 0.0014 0.0148 0.0225
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0306 0.0627
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Echinococcus granulosus potassium voltage gated channel subfamily H 0.001 0.0074 0.0009
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0012 0.0115 0.013
Loa Loa (eye worm) CXXC zinc finger family protein 0.006 0.1201 0.1735
Entamoeba histolytica Ran family GTPase 0.0021 0.0306 0.8657
Brugia malayi RNA, U transporter 1 0.0079 0.1643 0.2503
Schistosoma mansoni hypothetical protein 0.0446 1 1
Trichomonas vaginalis glutaminase, putative 0.0287 0.6371 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0058 0.1169 0.1687
Schistosoma mansoni ran 0.0021 0.0306 0.0306
Echinococcus multilocularis snurportin 1 0.0297 0.6612 0.659
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0261 0.0197
Toxoplasma gondii histone lysine methyltransferase SET1 0.0113 0.2419 0.6122
Schistosoma mansoni ran 0.0021 0.0306 0.0306
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.001 0.0065 0.0065
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0306 0.0382
Schistosoma mansoni cpg binding protein 0.0063 0.1279 0.1279
Plasmodium falciparum amino acid transporter, putative 0.001 0.0065 0.0166
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0012 0.0115 0.005
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.001 0.0065 0.0065
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.001 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0297 0.6612 0.6612
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0354 0.0548
Plasmodium falciparum importin beta, putative 0.0028 0.0474 0.1211
Mycobacterium ulcerans glutaminase 0.0287 0.6371 1
Trichomonas vaginalis hypothetical protein 0.0179 0.3911 0.6135
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0261 0.0197
Schistosoma mansoni sodium/chloride dependent transporter 0.001 0.0065 0.0065
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0012 0.0115 0.0076
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0306 0.533
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0179 0.3911 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0148 0.0225
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0354 0.0548
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0306 0.0243
Echinococcus multilocularis serotonin transporter 0.0058 0.1169 0.1111
Brugia malayi glutaminase DH11.1 0.0287 0.6371 1
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0725 0.0725
Leishmania major GTP-binding protein, putative 0.0021 0.0306 0.8009
Loa Loa (eye worm) hypothetical protein 0.0058 0.1169 0.1687
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0148 0.0225
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.0115 0.0079
Echinococcus granulosus geminin 0.0349 0.7777 0.7762
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0179 0.3911 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0179 0.3911 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0179 0.3911 0.6067
Schistosoma mansoni glutaminase 0.0287 0.6371 0.6371
Loa Loa (eye worm) hypothetical protein 0.0012 0.0115 0.0076
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0058 0.1169 0.1751
Plasmodium vivax importin-beta 2, putative 0.0028 0.0474 0.1063
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0012 0.0115 0.005
Schistosoma mansoni dihydropteridine reductase 0.0012 0.0115 0.0115
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0012 0.0115 0.013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0178 0.0113
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0474 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0651 0.059
Schistosoma mansoni cpg binding protein 0.006 0.1201 0.1201
Loa Loa (eye worm) glutaminase 0.0287 0.6371 0.9633
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0012 0.0115 0.3253
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0725 0.0725
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.001 0.0065 0.0065
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0474 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0306 0.8009
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.001 0.0065 0.0065
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0012 0.0115 0.0115
Echinococcus multilocularis dnaJ subfamily B 0.0446 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0178 0.0113
Schistosoma mansoni hypothetical protein 0.0349 0.7777 0.7777
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0651 0.0895
Plasmodium falciparum transporter, putative 0.001 0.0065 0.0166
Loa Loa (eye worm) serotonin transporter b 0.0058 0.1169 0.1687
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0179 0.3911 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.001 0.0065 0.0065
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0354 0.0548
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0127 0.2728 0.2728
Schistosoma mansoni hypothetical protein 0.0349 0.7777 0.7777
Schistosoma mansoni sodium/chloride dependent transporter 0.0058 0.1169 0.1169
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0179 0.3911 1
Loa Loa (eye worm) norepinephrine transporter 0.0058 0.1169 0.1687
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0651 0.0929
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0148 0.0225
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0306 0.0783
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0148 0.0225
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.0115 0.0079
Echinococcus granulosus serotonin transporter 0.0058 0.1169 0.1111
Echinococcus granulosus voltage gated potassium channel 0.001 0.0074 0.0009
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.001 0.0074 0.0015
Echinococcus multilocularis geminin 0.0349 0.7777 0.7762
Echinococcus granulosus importin subunit beta 1 0.0028 0.0474 0.0411
Echinococcus granulosus cpg binding protein 0.0063 0.1279 0.1222
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.001 0.0065 0.0065
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0474 0.0411
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0178 0.0113
Loa Loa (eye worm) hypothetical protein 0.0028 0.0474 0.0624
Onchocerca volvulus 0.0058 0.1169 0.972
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0474 0.1063
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0179 0.3911 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0598 0.0931
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0148 0.0225
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 0.6612 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0306 0.8009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0148 0.0225
Schistosoma mansoni cpg binding protein 0.0063 0.1279 0.1279
Echinococcus multilocularis voltage gated potassium channel 0.001 0.0074 0.0009
Onchocerca volvulus 0.0012 0.0115 0.044

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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