Detailed information for compound 686448

Basic information

Technical information
  • TDR Targets ID: 686448
  • Name: 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethoxyph enyl)-1,1-dioxobenzo[e][1,2,4]thiadiazin-3-on e
  • MW: 458.915 | Formula: C22H19ClN2O5S
  • H donors: 0 H acceptors: 3 LogP: 4.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)N1C(=O)N(Cc2cccc(c2)Cl)c2c(S1(=O)=O)cccc2
  • InChi: 1S/C22H19ClN2O5S/c1-29-18-11-17(12-19(13-18)30-2)25-22(26)24(14-15-6-5-7-16(23)10-15)20-8-3-4-9-21(20)31(25,27)28/h3-13H,14H2,1-2H3
  • InChiKey: NXGQUSLHEURINX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)-1,1-dioxo-benzo[e][1,2,4]thiadiazin-3-one
  • 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)-1,1-dioxo-3-benzo[e][1,2,4]thiadiazinone
  • 4-(3-chlorobenzyl)-2-(3,5-dimethoxyphenyl)-1,1-diketo-benzo[e][1,2,4]thiadiazin-3-one

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
Echinococcus granulosus geminin 0.0168 0.1159 0.6657
Schistosoma mansoni hypothetical protein 0.0168 0.1159 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.0595 0.2587
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.2298 0.5
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0095 0.052 0.5
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.118 1 1
Echinococcus multilocularis geminin 0.0168 0.1159 0.6657
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Brugia malayi hypothetical protein 0.0235 0.174 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0095 0.052 0.299
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0095 0.052 0.299
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0096 0.0552
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0104 0.0595 0.0078
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.052 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0096 0.0552
Loa Loa (eye worm) hypothetical protein 0.0235 0.174 1
Treponema pallidum fructose-bisphosphate aldolase 0.0299 0.2298 0.1875
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.2298 0.5
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0062 0.0231 0.3893
Schistosoma mansoni hypothetical protein 0.0168 0.1159 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0106 0.0916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0096 0.0552
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.0963 0.0963
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.174 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0096 0.0552
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0096 0.0552
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0104 0.0595 0.2587
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.118 1 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0095 0.052 0.299
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0062 0.0231 0.0231
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.052 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0095 0.052 1
Onchocerca volvulus 0.0048 0.0106 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0095 0.052 0.4491
Schistosoma mansoni hypothetical protein 0.0048 0.0106 0.0916
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0096 0.0829
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0096 0.0552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0096 0.0829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 0.2298 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0106 0.061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Treponema pallidum hypothetical protein 0.118 1 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0095 0.052 0.299
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.0963 0.0963
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0096 0.0829
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.0963 0.0963
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0104 0.0595 0.0595
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.0595 0.2587
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.2298 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.118 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0095 0.052 0.052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.1685 0.1685
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0104 0.0595 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.118 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.174 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.