Detailed information for compound 1450676

Basic information

Technical information
  • TDR Targets ID: 1450676
  • Name: N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1- oxidopyridin-1-ium-2-yl)sulfanylacetamide
  • MW: 429.941 | Formula: C17H20ClN3O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)CSc1cccc[n+]1[O-])Cl)CC
  • InChi: 1S/C17H20ClN3O4S2/c1-3-20(4-2)27(24,25)13-8-9-14(18)15(11-13)19-16(22)12-26-17-7-5-6-10-21(17)23/h5-11H,3-4,12H2,1-2H3,(H,19,22)
  • InChiKey: IRMHGGHBPSIIQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide
  • N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide
  • N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide
  • N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanamide
  • MLS000776204
  • SMR000371203
  • T0511-2871

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arginine vasopressin receptor 1B Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0946 0.0946
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus granulosus TGF beta signal transducer SmadC 0.0052 0.0555 0.1111
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0013 0.0032 0.0065
Onchocerca volvulus 0.0016 0.0085 0.0324
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 16 0.0013 0.0032 0.0065
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0533 0.1067
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Loa Loa (eye worm) TAR-binding protein 0.0202 0.2562 0.2562
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0016 0.0085 0.017
Trypanosoma cruzi PAB1-binding protein , putative 0.0184 0.2319 1
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0085 0.017
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0016 0.0085 0.0085
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 0.0013 0.0032 0.0065
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 7 0.0013 0.0032 0.0065
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0016 0.0085 1
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 20 0.0013 0.0032 0.0065
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0087 0.0174
Echinococcus granulosus expressed protein 0.0016 0.0085 0.017
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0946 0.1895
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase family 2 protein 0.0013 0.0032 0.0139
Echinococcus granulosus ubiquitin specific peptidase 30 (C19 family) 0.0013 0.0032 0.0065
Echinococcus multilocularis expressed protein 0.0013 0.0032 0.0065
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 0.2618 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0384 0.4994 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0256 0.3284 0.3284
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0085 0.017
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0016 0.0085 0.0085
Brugia malayi latrophilin 2 splice variant baaae 0.0175 0.2202 0.2202
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0884 0.3813
Loa Loa (eye worm) hypothetical protein 0.0016 0.0085 0.0085
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 7 0.0013 0.0032 0.0065
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0533 1
Echinococcus granulosus GPCR family 2 0.0081 0.0946 0.1895
Brugia malayi N-terminal motif family protein 0.0206 0.2618 0.2618
Giardia lamblia Hypothetical protein 0.0013 0.0032 0.5
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0016 0.0085 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0013 0.0032 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0184 0.2319 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 24 0.0013 0.0032 0.0065
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 12 0.0013 0.0032 0.0065
Echinococcus multilocularis mothers against decapentaplegic 5 0.0052 0.0555 0.1111
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 0.5
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0052 0.0555 0.1111
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Echinococcus multilocularis GPCR, family 2 0.0081 0.0946 0.1895
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 24 0.0013 0.0032 0.0065
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0087 0.0239
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0087 0.0174
Echinococcus multilocularis mothers against decapentaplegic 6 0.0023 0.0173 0.0347
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0016 0.0085 0.0085
Brugia malayi G-protein alpha subunit 0.0016 0.0085 0.0085
Onchocerca volvulus 0.0013 0.0032 0.0123
Schistosoma mansoni ubiquitin-specific peptidase 24 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 10 (C19 family) 0.0013 0.0032 0.0065
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0085 0.017
Toxoplasma gondii LsmAD domain-containing protein 0.0184 0.2319 1
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0016 0.0085 0.017
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0013 0.0032 0.0139
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Plasmodium falciparum ataxin-2 like protein, putative 0.0184 0.2319 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 47 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 14 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni Smad4 0.0023 0.0173 0.0347
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0216 0.0803
Schistosoma mansoni ubiquitin-specific peptidase 9X (C19 family) 0.0013 0.0032 0.0065
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0023 0.0173 0.0661
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0082 0.0965 0.1933
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Loa Loa (eye worm) MH2 domain-containing protein 0.0052 0.0555 0.0555
Echinococcus multilocularis ubiquitin specific peptidase (c family) ubiquitin terminal hydrolase 0.0013 0.0032 0.0065
Loa Loa (eye worm) transcription factor SMAD2 0.0758 1 1
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Schistosoma mansoni hypothetical protein 0.0081 0.0946 0.1895
Loa Loa (eye worm) Smad1 0.0052 0.0555 0.0555
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 16 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0206 0.2618 0.2618
Echinococcus multilocularis ubiquitin specific peptidase 42 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0085 0.017
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0087 0.0239
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0082 0.0965 0.1933
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 0.5
Schistosoma mansoni family C19 unassigned peptidase (C19 family) 0.0013 0.0032 0.0065
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Entamoeba histolytica G protein alpha subunit, putative 0.0016 0.0085 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 47 0.0013 0.0032 0.0065
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 7 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.2562 0.2562
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 36 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Echinococcus granulosus ubiquitin specific protease 41 0.0013 0.0032 0.0065
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0013 0.0032 0.0065
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0884 1
Schistosoma mansoni calpain-7 (C02 family) 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0184 0.2319 0.2319
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0256 0.3284 0.3284
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0085 0.017
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0087 0.0239
Loa Loa (eye worm) nuclear factor I 0.0029 0.0246 0.0246
Loa Loa (eye worm) RNA binding protein 0.0202 0.2562 0.2562
Loa Loa (eye worm) hypothetical protein 0.0023 0.0173 0.0173
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0013 0.0032 0.0065
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0384 0.4994 0.4994
Brugia malayi hypothetical protein 0.0118 0.1449 0.1449
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 23 0.0013 0.0032 0.0065
Brugia malayi hypothetical protein 0.0013 0.0032 0.0032
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0013 0.0032 0.0065
Brugia malayi ubiquitin carboxyl-terminal hydrolase 46 0.0013 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0175 0.2202 0.4409
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0884 0.3726
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0013 0.0032 0.0139
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0052 0.0555 0.1111
Brugia malayi Probable ClpP-like protease 0.0076 0.0884 0.0884
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0087 0.0174
Schistosoma mansoni ubiquitin-specific peptidase 45 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0085 0.017
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 4 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0085 0.017
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Brugia malayi hypothetical protein 0.0016 0.0085 0.0085
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0016 0.0085 0.017
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0016 0.0085 0.017
Schistosoma mansoni ubiquitin-specific peptidase 4 (C19 family) 0.0013 0.0032 0.0065
Brugia malayi MH2 domain containing protein 0.0052 0.0555 0.0555
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0384 0.4994 1
Schistosoma mansoni Smad4 0.0052 0.0555 0.1111
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0013 0.0032 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus granulosus mothers against decapentaplegic 6 0.0023 0.0173 0.0347
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0013 0.0032 0.0065
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0533 0.1067
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0087 0.0239
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 46 0.0013 0.0032 0.0032
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0533 0.4744
Loa Loa (eye worm) MH1 domain-containing protein 0.0023 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0081 0.0946 0.1895
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0016 0.0085 1
Schistosoma mansoni hypothetical protein 0.0081 0.0946 0.1895
Echinococcus granulosus ubiquitin specific peptidase c family 0.0013 0.0032 0.0065
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0884 0.177
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0087 0.0239
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0946 0.0946
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0016 0.0085 0.0085
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0884 0.177
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0384 0.4994 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0087 0.0375
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0085 0.017
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0016 0.0085 0.0085
Schistosoma mansoni calpain-7 (C02 family) 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0256 0.3284 0.3284
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Echinococcus granulosus tar DNA binding protein 0.0202 0.2562 0.5129
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0384 0.4994 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0085 0.0085
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 1
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0085 0.0085
Echinococcus multilocularis tar DNA binding protein 0.0202 0.2562 0.5129
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0016 0.0085 0.0085
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0016 0.0085 0.0085
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0085 0.017
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin carboxyl-terminal hydrolase of the cysteine proteinase fold 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 46 (C19 family) 0.0013 0.0032 0.0065
Brugia malayi MH1 domain containing protein 0.0052 0.0555 0.0555
Toxoplasma gondii hypothetical protein 0.0026 0.0216 0.0931
Brugia malayi MH1 domain containing protein 0.0052 0.0555 0.0555
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0087 0.0087
Echinococcus granulosus mothers against decapentaplegic 2 0.0023 0.0173 0.0347
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 14 0.0013 0.0032 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2562 0.5129
Schistosoma mansoni hypothetical protein 0.0081 0.0946 0.1895
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 7 0.0013 0.0032 0.0065
Schistosoma mansoni smad1 5 8 and 0.0052 0.0555 0.1111
Echinococcus granulosus smad 0.0052 0.0555 0.1111
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0013 0.0032 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0087 0.0174
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0013 0.0032 0.5
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0032
Brugia malayi Smad1 0.0052 0.0555 0.0555
Brugia malayi MH1 domain containing protein 0.0029 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Trypanosoma brucei PAB1-binding protein , putative 0.0184 0.2319 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0184 0.2319 1
Schistosoma mansoni smad 0.0023 0.0173 0.0347
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0013 0.0032 0.0065
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0087 0.0087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0384 0.4994 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0016 0.0085 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0085 0.017
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0884 0.3813
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0016 0.0085 1
Schistosoma mansoni smad1 5 8 and 0.0052 0.0555 0.1111
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0085 0.017
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0085 0.017
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0085 0.0085
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 0.0013 0.0032 0.0065
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0085 0.017
Brugia malayi hypothetical protein 0.0184 0.2319 0.2319
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0016 0.0085 0.0085
Schistosoma mansoni Smad4 0.0023 0.0173 0.0347
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.2562 0.2562
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0085 0.017
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0013 0.0032 0.0065
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0016 0.0085 0.0085
Toxoplasma gondii ubiquitin-specific protease USP4 0.0013 0.0032 0.0139
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Schistosoma mansoni ubiquitin-specific peptidase 48 (C19 family) 0.0013 0.0032 0.0065
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 0.5
Echinococcus granulosus 5'partial|Ubiquitin carboxyl terminal hydrolase 48 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0076 0.0884 0.0884
Brugia malayi isocitrate dehydrogenase 0.0017 0.0087 0.0087
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0016 0.0085 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 4 0.0013 0.0032 0.0065
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0013 0.0032 0.0065
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0216 0.0803
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 14 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2562 0.5129
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0085 0.017
Echinococcus granulosus Ubiquitin carboxyl terminal hydrolase 48 0.0013 0.0032 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2562 0.5129
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0087 0.0239
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0173 0.0173
Brugia malayi MH1 domain containing protein 0.0029 0.0246 0.0246
Onchocerca volvulus 0.0013 0.0032 0.0123
Schistosoma mansoni peptidase 0.0013 0.0032 0.0065
Brugia malayi RNA binding protein 0.0202 0.2562 0.2562
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Schistosoma mansoni ubiquitin-specific peptidase 9X (C19 family) 0.0013 0.0032 0.0065
Echinococcus multilocularis mothers against decapentaplegic 2 0.0023 0.0173 0.0347
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 4 0.0013 0.0032 0.0065
Loa Loa (eye worm) MH2 domain-containing protein 0.0758 1 1
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0016 0.0085 0.0085
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 5 0.0013 0.0032 0.0065
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0087 0.0239
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0087 0.0174
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 20 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0029 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0085 0.017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0085 0.0085
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0013 0.0032 0.0065
Loa Loa (eye worm) hypothetical protein 0.0081 0.0946 0.0946
Onchocerca volvulus 0.0016 0.0085 0.0324
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 36 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 42 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2562 0.5129
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0384 0.4994 0.4994
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0946 0.1895
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0013 0.0032 0.0065
Brugia malayi MH2 domain containing protein 0.0052 0.0555 0.0555
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus multilocularis expressed protein 0.0016 0.0085 0.017
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0087 0.0174
Brugia malayi Calcitonin receptor-like protein seb-1 0.0256 0.3284 0.3284
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0085 0.0085
Echinococcus multilocularis smad 0.0052 0.0555 0.1111
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0085 0.017
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Schistosoma mansoni ubiquitin-specific peptidase 7 (C19 family) 0.0013 0.0032 0.0065
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0082 0.0965 0.1933
Brugia malayi MH2 domain containing protein 0.0023 0.0173 0.0173
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0946 0.1895
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2562 0.5129
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0016 0.0085 1
Schistosoma mansoni hypothetical protein 0.0013 0.0032 0.0065
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0384 0.4994 1
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0085 0.017
Brugia malayi ubiquitin specific protease 14 0.0013 0.0032 0.0032
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0946 0.0946
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0085 0.017
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Onchocerca volvulus 0.0013 0.0032 0.0123
Loa Loa (eye worm) MH1 domain-containing protein 0.0052 0.0555 0.0555
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 4 0.0013 0.0032 0.0065
Schistosoma mansoni smad1 5 8 and 0.0052 0.0555 0.1111
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Toxoplasma gondii hypothetical protein 0.0013 0.0032 0.0139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0384 0.4994 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.2202 0.2202
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 0.5
Schistosoma mansoni smad 0.0052 0.0555 0.1111
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 12 0.0013 0.0032 0.0065
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 4 0.0013 0.0032 0.0065
Echinococcus granulosus mothers against decapentaplegic 5 0.0052 0.0555 0.1111
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0946 0.1895
Schistosoma mansoni ubiquitin-specific peptidase 30 (C19 family) 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 16 (C19 family) 0.0013 0.0032 0.0065
Loa Loa (eye worm) MH2 domain-containing protein 0.0023 0.0173 0.0173
Brugia malayi TAR-binding protein 0.0202 0.2562 0.2562
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0013 0.0032 0.0032
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0016 0.0085 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0032
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0884 0.177
Echinococcus multilocularis Ubiquitin carboxyl terminal hydrolase 48 0.0013 0.0032 0.0065
Giardia lamblia DUB-1 0.0013 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0085 0.0085
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0884 0.3726
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0087 0.0375
Loa Loa (eye worm) G protein alpha subunit 3 0.0016 0.0085 0.0085
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0016 0.0085 0.0085
Echinococcus multilocularis ubiquitin specific protease 41 0.0013 0.0032 0.0065
Schistosoma mansoni ubiquitin-specific peptidase 22 (C19 family) 0.0013 0.0032 0.0065
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0533 1
Echinococcus granulosus Smad4 0.0052 0.0555 0.1111
Onchocerca volvulus 0.0016 0.0085 0.0324
Leishmania major hypothetical protein, conserved 0.0184 0.2319 1
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase 0.0013 0.0032 0.0139
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 4 0.0013 0.0032 0.0065
Echinococcus multilocularis Smad4 0.0052 0.0555 0.1111
Plasmodium vivax ataxin-2 like protein, putative 0.0184 0.2319 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0087 0.0174
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0013 0.0032 0.0032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 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
Potency (functional) 19.4846 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: V1B Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 27.5227 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP1 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489043, AID492948] ChEMBL. No reference
Potency (functional) 30.881 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP2 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 38.8769 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: THP1 Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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