Detailed information for compound 691894

Basic information

Technical information
  • TDR Targets ID: 691894
  • Name: ethyl 4-[[2-[[5-[(4-fluorophenyl)carbamoylami no]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]ami no]benzoate
  • MW: 475.516 | Formula: C20H18FN5O4S2
  • H donors: 3 H acceptors: 5 LogP: 3.33 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)NC(=O)Nc1ccc(cc1)F
  • InChi: 1S/C20H18FN5O4S2/c1-2-30-17(28)12-3-7-14(8-4-12)22-16(27)11-31-20-26-25-19(32-20)24-18(29)23-15-9-5-13(21)6-10-15/h3-10H,2,11H2,1H3,(H,22,27)(H2,23,24,25,29)
  • InChiKey: MPVBWBFNTIPGSC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[2-[[5-[[[(4-fluorophenyl)amino]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester
  • 4-[[2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester
  • ethyl 4-[2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate

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 fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Schistosoma mansoni hypothetical protein 0.0047 0.0106 0.0916
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.2298 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.2298 0.1876
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0096 0.055
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.0963 0.0963
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0093 0.052 0.2987
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.2298 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0096 0.055
Treponema pallidum hypothetical protein 0.1157 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.1157 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0096 0.055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0096 0.0827
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0102 0.0594 0.2586
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.1157 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0093 0.052 0.2987
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.1157 1 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0093 0.052 1
Echinococcus multilocularis geminin 0.0165 0.1159 0.6657
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0102 0.0594 0.2586
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0096 0.055
Brugia malayi glucose-6-phosphate dehydrogenase 0.0093 0.052 0.2987
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1686 0.1686
Loa Loa (eye worm) hypothetical protein 0.0231 0.1742 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.0963 0.0963
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.052 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.1157 1 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.052 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0093 0.052 0.4488
Schistosoma mansoni hypothetical protein 0.0165 0.1159 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0061 0.0231 0.0231
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0061 0.0231 0.3891
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0093 0.052 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1742 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.0963 0.0963
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0093 0.052 0.2987
Brugia malayi hypothetical protein 0.0231 0.1742 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0096 0.055
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1742 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0093 0.052 0.052
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0102 0.0594 0.0078
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0106 0.061
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0102 0.0594 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0096 0.055
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0102 0.0594 0.0594
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0096 0.0827
Schistosoma mansoni survival motor neuron protein 0.0047 0.0106 0.0916
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Onchocerca volvulus 0.0047 0.0106 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0102 0.0594 0.2586
Echinococcus granulosus geminin 0.0165 0.1159 0.6657
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.2298 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.2298 1
Schistosoma mansoni hypothetical protein 0.0165 0.1159 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0096 0.0827

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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