Detailed information for compound 625778

Basic information

Technical information
  • TDR Targets ID: 625778
  • Name: N-(5-chloro-2-methoxyphenyl)-2-(2,6-diethyl-3 ,5-dioxothiomorpholin-4-yl)acetamide
  • MW: 384.878 | Formula: C17H21ClN2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1SC(CC)C(=O)N(C1=O)CC(=O)Nc1cc(Cl)ccc1OC
  • InChi: 1S/C17H21ClN2O4S/c1-4-13-16(22)20(17(23)14(5-2)25-13)9-15(21)19-11-8-10(18)6-7-12(11)24-3/h6-8,13-14H,4-5,9H2,1-3H3,(H,19,21)
  • InChiKey: JHRRJZZBZJAQFM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-2-(2,6-diethyl-3,5-dioxo-thiomorpholin-4-yl)acetamide
  • N-(5-chloro-2-methoxyphenyl)-2-(2,6-diethyl-3,5-dioxo-4-thiomorpholinyl)acetamide
  • N-(5-chloro-2-methoxy-phenyl)-2-(2,6-diethyl-3,5-diketo-thiomorpholin-4-yl)acetamide
  • N-(5-chloro-2-methoxy-phenyl)-2-(2,6-diethyl-3,5-dioxo-thiomorpholin-4-yl)ethanamide

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 p2X purinoceptor 4 0.0205 0.1316 0.4056
Loa Loa (eye worm) oxidoreductase 0.0092 0.0469 0.3092
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0092 0.0469 0.0432
Loa Loa (eye worm) hypothetical protein 0.0056 0.0194 0.1279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Onchocerca volvulus 0.0056 0.0194 0.3614
Leishmania major serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0042 0.0094 0.1305
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 0.0042 0.0094 0.0623
Onchocerca volvulus 0.0056 0.0194 0.3614
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0038 0.006
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative 0.0042 0.0094 0.0056
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0042 0.0094 0.1305
Schistosoma mansoni P2X receptor subunit 0.0205 0.1316 0.5565
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1362 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0038 0.006
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0092 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0186 0.1228
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0092 0.0469 1
Leishmania major oxidoreductase-like protein 0.0092 0.0469 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0092 0.0469 1
Brugia malayi TAR-binding protein 0.0189 0.1197 0.79
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0255 0.0996
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.1197 0.79
Echinococcus granulosus p2X purinoceptor 4 0.0205 0.1316 0.4056
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1362 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0455 0.3189 0.5136
Leishmania major pteridine reductase 1 0.0092 0.0469 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0092 0.0469 1
Schistosoma mansoni hypothetical protein 0.0047 0.0127 0.0444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0148 0.0535
Loa Loa (eye worm) hypothetical protein 0.0134 0.0779 0.5139
Brugia malayi beta-lactamase family protein 0.0035 0.0038 0.0252
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0092 0.0469 0.0432
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0645 0.4253
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0092 0.0469 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Brugia malayi beta-lactamase family protein 0.0035 0.0038 0.0252
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0024 0.016
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Schistosoma mansoni hypothetical protein 0.0342 0.2345 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0092 0.0469 0.0432
Mycobacterium tuberculosis Probable oxidoreductase 0.0092 0.0469 0.0432
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0092 0.0469 0.0432
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0645 0.4253
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0255 0.0218
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0092 0.0469 0.0378
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0252
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1197 0.5055
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0092 0.0469 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0255 0.0689
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0194 0.1279
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0092 0.0469 0.0432
Loa Loa (eye worm) TAR-binding protein 0.0189 0.1197 0.79
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0255 0.0218
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0139 0.0917
Trypanosoma brucei protein phosphatase 2B, putative 0.0042 0.0094 0.1305
Schistosoma mansoni P2X receptor subunit 0.0205 0.1316 0.5565
Brugia malayi beta-lactamase 0.0035 0.0038 0.0252
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0092 0.0469 0.0432
Schistosoma mansoni lamin 0.0056 0.0194 0.0731
Echinococcus multilocularis tar DNA binding protein 0.0189 0.1197 0.189
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0255 0.0354
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0038 0.0252
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0194 0.1279
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0852 0.6172 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0148 0.035
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0092 0.0469 0.0432
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0092 0.0469 0.1366
Schistosoma mansoni dihydropteridine reductase 0.0092 0.0469 0.1915
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1197 0.5055
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0092 0.0469 0.0432
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1496 0.2377
Echinococcus granulosus lamin dm0 0.0056 0.0194 0.0494
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0092 0.0469 0.0432
Echinococcus multilocularis p2X purinoceptor 4 0.0205 0.1316 0.2083
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Echinococcus granulosus lamin 0.0056 0.0194 0.0494
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0092 0.0469 0.0432
Schistosoma mansoni lamin 0.0056 0.0194 0.0731
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0252
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0042 0.0094 0.0178
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0092 0.0469 0.3092
Onchocerca volvulus 0.0092 0.0469 1
Echinococcus granulosus neuropeptide s receptor 0.0455 0.3189 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0139 0.0917
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0042 0.0094 0.0092
Trypanosoma cruzi serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0042 0.0094 0.1305
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0042 0.0094 0.0178
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.1516 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0148 0.0535
Schistosoma mansoni P2X receptor subunit 0.0205 0.1316 0.5565
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0042 0.0094 0.0092
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0092 0.0469 0.1915
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0092 0.0469 0.0432
Mycobacterium tuberculosis Possible oxidoreductase 0.0092 0.0469 0.0432
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0092 0.0469 0.0432
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Onchocerca volvulus 0.0092 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0252
Brugia malayi intermediate filament protein 0.0056 0.0194 0.1279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0148 0.018
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0042 0.0094 0.1305
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Loa Loa (eye worm) RNA binding protein 0.0189 0.1197 0.79
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0148 0.098
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1197 0.5055
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0255 0.0996
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0252
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0092 0.0469 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Trichomonas vaginalis hypothetical protein 0.1362 1 1
Echinococcus multilocularis p2X purinoceptor 4 0.0205 0.1316 0.2083
Echinococcus multilocularis lamin dm0 0.0056 0.0194 0.0254
Schistosoma mansoni intermediate filament proteins 0.0056 0.0194 0.0731
Echinococcus granulosus tar DNA binding protein 0.0189 0.1197 0.3679
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1362 1 1
Echinococcus granulosus p2X purinoceptor 4 0.0205 0.1316 0.4056
Mycobacterium ulcerans oxidoreductase 0.0092 0.0469 0.0432
Schistosoma mansoni protein phosphatase-2b 0.0042 0.0094 0.0302
Echinococcus multilocularis serotonin receptor 0.0134 0.0779 0.1208
Onchocerca volvulus 0.0047 0.0127 0.2066
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein 0.0042 0.0094 0.0056
Mycobacterium tuberculosis Possible oxidoreductase 0.0092 0.0469 0.0432
Echinococcus multilocularis geminin 0.0342 0.2345 0.3761
Brugia malayi RNA binding protein 0.0189 0.1197 0.79
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Loa Loa (eye worm) hypothetical protein 0.0048 0.0139 0.0917
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0593
Echinococcus granulosus biogenic amine 5HT receptor 0.0134 0.0779 0.2351
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0255 0.0218
Echinococcus multilocularis lamin 0.0056 0.0194 0.0254
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1197 0.5055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0148 0.035
Echinococcus granulosus intermediate filament protein 0.0056 0.0194 0.0494
Brugia malayi hypothetical protein 0.0229 0.1496 0.9871
Plasmodium falciparum enoyl-acyl carrier reductase 0.1362 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0094 0.0623
Leishmania major serine/threonine protein phosphatase, putative 0.0042 0.0094 0.1305
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0092 0.0469 0.0432
Echinococcus multilocularis musashi 0.0056 0.0194 0.0254
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1362 1 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0092 0.0469 0.0432
Brugia malayi MH2 domain containing protein 0.0116 0.0645 0.4253
Echinococcus multilocularis p2X purinoceptor 4 0.0205 0.1316 0.2083
Schistosoma mansoni survival motor neuron protein 0.0047 0.0127 0.0444
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0092 0.0469 0.0432
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0092 0.0469 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0255 0.0218
Schistosoma mansoni biogenic amine (5HT) receptor 0.0134 0.0779 0.3252
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0252
Echinococcus granulosus neuropeptide receptor A26 0.0455 0.3189 1
Schistosoma mansoni protein phosphatase-2b 0.0042 0.0094 0.0302
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0252
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0092 0.0469 0.0432
Trypanosoma brucei pteridine reductase 1 0.0092 0.0469 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0127 0.0839
Trypanosoma brucei oxidoreductase-like protein 0.0092 0.0469 1
Schistosoma mansoni hypothetical protein 0.0342 0.2345 1
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.1197 0.79
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Schistosoma mansoni tar DNA-binding protein 0.0189 0.1197 0.5055
Echinococcus multilocularis serotonin receptor 0.0134 0.0779 0.1208
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0255 0.0218
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0092 0.0469 0.0702
Loa Loa (eye worm) hypothetical protein 0.0134 0.0779 0.5139
Loa Loa (eye worm) retinol dehydrogenase 12 0.0092 0.0469 0.3092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0139 0.0917
Schistosoma mansoni P2X receptor subunit 0.0205 0.1316 0.5565
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.1496 0.4628
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1362 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0038 0.0252
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0092 0.0469 0.0432
Echinococcus multilocularis neuropeptide receptor A26 0.0455 0.3189 0.5136
Brugia malayi follicle stimulating hormone receptor 0.0232 0.1516 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0148 0.018
Loa Loa (eye worm) hypothetical protein 0.0033 0.0024 0.016
Echinococcus granulosus geminin 0.0342 0.2345 0.7323
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0148 0.098
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1362 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0148 0.0535
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0092 0.0469 0.3092
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0092 0.0469 0.3092
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.0469 0.0432
Loa Loa (eye worm) beta-lactamase 0.0035 0.0038 0.0252
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.0469 0.0432
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0194 0.1279
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0092 0.0469 0.0432
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.1449 0.1417
Loa Loa (eye worm) hypothetical protein 0.0229 0.1496 0.9871
Loa Loa (eye worm) hypothetical protein 0.0092 0.0469 0.3092
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0255 0.5042

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.