Detailed information for compound 1707183

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.388 | Formula: C13H21N3O5S
  • H donors: 2 H acceptors: 4 LogP: 0.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=C(COC1=O)N1CCCC1)NS(=O)(=O)NC(C)(C)C
  • InChi: 1S/C13H21N3O5S/c1-13(2,3)15-22(19,20)14-11(17)10-9(8-21-12(10)18)16-6-4-5-7-16/h15H,4-8H2,1-3H3,(H,14,17)
  • InChiKey: IDLYGMLSXRFKKC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus 0.0074 0.0084 0.0189
Echinococcus granulosus short transient receptor potential channel 6 0.0067 0.0058 0.0035
Echinococcus multilocularis transient receptor potential ion channel A 0.0097 0.0171 0.014
Echinococcus multilocularis survival motor neuron protein 1 0.0484 0.1599 0.1573
Echinococcus granulosus tar DNA binding protein 0.0076 0.0095 0.0072
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.0907 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0099 0.0177 0.0474
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0163 0.0415 0.0384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0166 0.0135
Schistosoma mansoni transient receptor potential channel 0.0067 0.0058 0.0027
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.0907 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0182 0.0485 0.514
Brugia malayi MH2 domain containing protein 0.0482 0.1591 0.5083
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0182 0.0485 0.5343
Onchocerca volvulus 0.0471 0.1551 0.5434
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0905
Brugia malayi GH02984p 0.0382 0.1224 0.3889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.0485 0.2953
Loa Loa (eye worm) hypothetical protein 0.0515 0.1715 0.5489
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0166 0.0439
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0084 0.0931
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0145 0.0348 0.3564
Echinococcus multilocularis short transient receptor potential channel 6 0.0067 0.0058 0.0027
Brugia malayi beta-lactamase 0.0074 0.0084 0.0173
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0182 0.0485 1
Brugia malayi RNA binding protein 0.0076 0.0095 0.0207
Echinococcus granulosus short transient receptor potential channel 6 0.0067 0.0058 0.0035
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0086 0.013 0.1064
Schistosoma mansoni transient receptor potential channel 4 0.0101 0.0184 0.0153
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0163 0.0415 0.1249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0909
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0347 0.2044
Echinococcus granulosus survival motor neuron protein 1 0.0484 0.1599 0.1579
Loa Loa (eye worm) hypothetical protein 0.0382 0.1224 0.3889
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0084 0.0053
Echinococcus multilocularis high affinity choline transporter 1 0.0382 0.1224 0.1197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0909
Loa Loa (eye worm) hypothetical protein 0.0063 0.0046 0.0046
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0084 0.0061
Brugia malayi beta-lactamase family protein 0.0074 0.0084 0.0173
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.0038 0.0417
Loa Loa (eye worm) hypothetical protein 0.0074 0.0084 0.0173
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0182 0.0485 0.0462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0095 0.0064
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0182 0.0485 0.5343
Brugia malayi Matrixin family protein 0.089 0.3099 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0515 0.1715 0.5489
Schistosoma mansoni hypothetical protein 0.0352 0.1113 0.1085
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0163 0.0415 0.0392
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0166 0.0143
Schistosoma mansoni hypothetical protein 0.0163 0.0415 0.0384
Loa Loa (eye worm) matrix metalloproteinase 0.0368 0.1172 0.3717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0905
Mycobacterium leprae PROBABLE HYDROLASE 0.0448 0.1468 1
Onchocerca volvulus 0.0368 0.1172 0.4078
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0084 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0084 0.0308
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.0389 0.2077
Loa Loa (eye worm) beta-lactamase 0.0074 0.0084 0.0173
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0166 0.0439
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.033 0.3643
Loa Loa (eye worm) hypothetical protein 0.0101 0.0184 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0909
Loa Loa (eye worm) hypothetical protein 0.0348 0.1098 0.3476
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.021 0.1139
Loa Loa (eye worm) MH2 domain-containing protein 0.0482 0.1591 0.5083
Brugia malayi hypothetical protein 0.0146 0.0353 0.1048
Trypanosoma cruzi target of rapamycin kinase 3 0.0145 0.0348 0.3832
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0448 0.1468 0.9437
Echinococcus granulosus tumor protein p63 0.2379 0.8595 0.8591
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0061 0.0038 0.0006
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1339 0.4755 0.4738
Onchocerca volvulus Matrilysin homolog 0.0368 0.1172 0.4078
Toxoplasma gondii target of rapamycin (TOR), putative 0.0135 0.0312 1
Leishmania major hypothetical protein, conserved 0.0074 0.0084 0.0536
Onchocerca volvulus Matrilysin homolog 0.0817 0.2827 1
Trichomonas vaginalis esterase, putative 0.0074 0.0084 0.0308
Schistosoma mansoni transient receptor potential channel 0.0101 0.0184 0.0153
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.021 0.1139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0214 0.1165
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0182 0.0485 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0038 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0166 0.0135
Schistosoma mansoni microtubule-associated protein tau 0.2759 1 1
Brugia malayi Matrixin family protein 0.0368 0.1172 0.3717
Echinococcus granulosus transient receptor potential gamma protein 0.0101 0.0184 0.0161
Schistosoma mansoni high-affinity choline transporter 0.0382 0.1224 0.1197
Trichomonas vaginalis set domain proteins, putative 0.0471 0.1551 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.0038 0.0417
Schistosoma mansoni hypothetical protein 0.0163 0.0415 0.0384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0166 0.0143
Loa Loa (eye worm) matrixin family protein 0.089 0.3099 1
Echinococcus granulosus high affinity choline transporter 1 0.0382 0.1224 0.1204
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0084 0.0308
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0084 1
Onchocerca volvulus 0.0099 0.0177 0.052
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0076 0.0092 0.0619
Loa Loa (eye worm) transcription factor SMAD2 0.0482 0.1591 0.5083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0347 0.2044
Schistosoma mansoni transient receptor potential channel 0.0067 0.0058 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0347 0.2044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0347 0.2044
Loa Loa (eye worm) hypothetical protein 0.0074 0.0084 0.0173
Loa Loa (eye worm) hypothetical protein 0.0484 0.1599 0.511
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0084 0.0173
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0182 0.0485 0.514
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0038 0.0021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0515 0.1715 0.5489
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0386 0.2303
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0214 0.1165
Onchocerca volvulus 0.0348 0.1098 0.3814
Mycobacterium ulcerans hydrolase 0.0448 0.1468 1
Echinococcus multilocularis tumor protein p63 0.2379 0.8595 0.859
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0084 0.0173
Brugia malayi Hemopexin family protein 0.0522 0.174 0.5569
Brugia malayi hypothetical protein 0.0305 0.094 0.2961
Schistosoma mansoni hypothetical protein 0.0099 0.0177 0.0146
Brugia malayi Matrixin family protein 0.0368 0.1172 0.3717
Brugia malayi Pre-SET motif family protein 0.0414 0.134 0.4265
Echinococcus multilocularis short transient receptor potential channel 6 0.0067 0.0058 0.0027
Brugia malayi beta-lactamase family protein 0.0074 0.0084 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0084 0.0931
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0182 0.0485 0.0455
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0061 0.0038 0.0006
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.1419 0.5052 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0163 0.0415 0.1249
Toxoplasma gondii ABC1 family protein 0.0074 0.0084 0.1886
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0095 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0095 0.0064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0163 0.0415 0.0384
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0448 0.1468 0.4683
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0471 0.155 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0166 0.0135
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0095 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0095 0.0064
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.0907 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0166 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0122 0.0263 0.149
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0084 0.0053
Schistosoma mansoni hypothetical protein 0.0163 0.0415 0.0384
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0163 0.0415 0.0392
Loa Loa (eye worm) hypothetical protein 0.0074 0.0084 0.0173
Mycobacterium ulcerans hypothetical protein 0.0156 0.0389 0.2201
Onchocerca volvulus 0.0305 0.094 0.3249
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0061 0.0038 0.0014
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.0907 1
Loa Loa (eye worm) hypothetical protein 0.0352 0.1113 0.3526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0909
Loa Loa (eye worm) hypothetical protein 0.0368 0.1172 0.3717
Loa Loa (eye worm) hypothetical protein 0.0448 0.1468 0.4683
Onchocerca volvulus Matrix metalloproteinase homolog 0.0817 0.2827 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0145 0.0348 0.3564
Brugia malayi Latrophilin receptor protein 2 0.0163 0.0415 0.1249
Schistosoma mansoni hypothetical protein 0.0163 0.0415 0.0384
Echinococcus granulosus transient receptor potential ion channel A 0.0097 0.0171 0.0148
Schistosoma mansoni polycystin 1-related 0.0125 0.0273 0.0242
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0095 0.0207
Loa Loa (eye worm) hypothetical protein 0.0368 0.1172 0.3717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0095 0.0064
Schistosoma mansoni hypothetical protein 0.0522 0.174 0.1714
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0095 0.0207
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0084 0.0308
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0031 0.0008
Echinococcus granulosus GPCR family 2 0.0163 0.0415 0.0392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0175 0.0905
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.1339 0.4755 0.4742
Echinococcus multilocularis GPCR, family 2 0.0163 0.0415 0.0384
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0182 0.0485 0.0455
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0368 0.1172 0.1144
Loa Loa (eye worm) hypothetical protein 0.0074 0.0084 0.0173
Loa Loa (eye worm) hypothetical protein 0.0163 0.0415 0.1249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Loa Loa (eye worm) hypothetical protein 0.0074 0.0084 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0084 0.0308
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0389 0.1247 0.122
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0182 0.0485 0.514
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0146 0.0353 0.033
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0182 0.0485 0.514
Loa Loa (eye worm) phosphatidylinositol 3 0.0182 0.0485 0.1477
Echinococcus multilocularis microtubule associated protein 2 0.2759 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0249 0.1394
Brugia malayi hypothetical protein 0.0484 0.1599 0.511
Loa Loa (eye worm) hypothetical protein 0.0368 0.1172 0.3717
Brugia malayi Matrixin family protein 0.0368 0.1172 0.3717
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0414 0.134 0.4265
Loa Loa (eye worm) matrixin family protein 0.0817 0.2827 0.9114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Giardia lamblia GTOR 0.0182 0.0485 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.0485 0.2953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.0485 0.2953
Loa Loa (eye worm) hypothetical protein 0.0305 0.094 0.2961
Brugia malayi TAR-binding protein 0.0076 0.0095 0.0207
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0182 0.0485 0.1477
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0095 0.0207
Onchocerca volvulus 0.0074 0.0084 0.0189
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0146 0.0353 0.0323
Loa Loa (eye worm) RNA binding protein 0.0076 0.0095 0.0207
Loa Loa (eye worm) hypothetical protein 0.0074 0.0084 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0312 0.1815
Echinococcus multilocularis transient receptor potential gamma protein 0.0101 0.0184 0.0153
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0214 0.1165
Schistosoma mansoni transcription factor LCR-F1 0.0146 0.0353 0.0323
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.033 0.3367
Schistosoma mansoni survival motor neuron protein 0.0099 0.0177 0.0146
Onchocerca volvulus 0.0522 0.174 0.611
Schistosoma mansoni hypothetical protein 0.0146 0.0353 0.0323
Brugia malayi Matrixin family protein 0.0368 0.1172 0.3717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0347 0.2044
Brugia malayi Calcitonin receptor-like protein seb-1 0.0515 0.1715 0.5489
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0084 0.0536
Onchocerca volvulus 0.0074 0.0084 0.0189
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0166 0.0135
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.033 0.3367
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0084 0.0308
Brugia malayi latrophilin 2 splice variant baaae 0.0352 0.1113 0.3526
Schistosoma mansoni cellular tumor antigen P53 0.0348 0.1098 0.107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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