Detailed information for compound 1318243

Basic information

Technical information
  • TDR Targets ID: 1318243
  • Name: 5-[(4-chlorophenyl)sulfonylmethyl]-N-[1-(2,3- dihydro-1,4-benzodioxin-7-yl)ethyl]furan-2-ca rboxamide
  • MW: 461.915 | Formula: C22H20ClNO6S
  • H donors: 1 H acceptors: 3 LogP: 3.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NC(c1ccc2c(c1)OCCO2)C
  • InChi: 1S/C22H20ClNO6S/c1-14(15-2-8-19-21(12-15)29-11-10-28-19)24-22(25)20-9-5-17(30-20)13-31(26,27)18-6-3-16(23)4-7-18/h2-9,12,14H,10-11,13H2,1H3,(H,24,25)
  • InChiKey: WUDTWWRWJAOHNV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(4-chlorophenyl)sulfonylmethyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-furancarboxamide
  • 5-[(4-chlorophenyl)sulfonylmethyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-furamide
  • MLS000521186
  • SMR000131595

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0071 0.0092
Brugia malayi mothers against decapentaplegic homolog 3 0.0087 0.0184 0.0184
Brugia malayi hypothetical protein 0.0186 0.0532 0.0532
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0287 0.089 0.089
Giardia lamblia DNA repair protein RAD52 0.1438 0.495 0.5
Brugia malayi MH1 domain containing protein 0.0108 0.0257 0.0257
Toxoplasma gondii hypothetical protein 0.0114 0.0279 0.2426
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.0284 0.0616
Loa Loa (eye worm) transcription factor SMAD2 0.2869 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0071 0.0071
Echinococcus granulosus GPCR family 2 0.0287 0.089 0.2102
Loa Loa (eye worm) MH1 domain-containing protein 0.0087 0.0184 0.0151
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0908 0.308 0.308
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0116 0.0284 1
Brugia malayi RNA binding protein 0.1199 0.4108 0.4108
Schistosoma mansoni tar DNA-binding protein 0.1199 0.4108 1
Entamoeba histolytica hypothetical protein 0.0186 0.0532 0.1014
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 1
Entamoeba histolytica hypothetical protein 0.0186 0.0532 0.1014
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0217 0.0642 0.6083
Echinococcus granulosus mothers against decapentaplegic 2 0.0087 0.0184 0.037
Schistosoma mansoni tar DNA-binding protein 0.1199 0.4108 1
Brugia malayi isocitrate dehydrogenase 0.0116 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0035
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 1
Entamoeba histolytica hypothetical protein 0.0409 0.132 0.2616
Loa Loa (eye worm) hypothetical protein 0.0331 0.1045 0.1015
Schistosoma mansoni hypothetical protein 0.0287 0.089 0.2102
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0068 0.1387
Echinococcus multilocularis isocitrate dehydrogenase 0.0116 0.0284 0.0616
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0071 0.0092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0908 0.308 0.308
Schistosoma mansoni smad 0.0087 0.0184 0.037
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0116 0.0284 0.2211
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0116 0.0284 0.4274
Schistosoma mansoni transcription factor LCR-F1 0.0186 0.0532 0.1223
Echinococcus multilocularis peptidase Clp (S14 family) 0.0217 0.0642 0.1495
Loa Loa (eye worm) MH2 domain-containing protein 0.2869 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0621 0.2066 0.2066
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0071 0.0038
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0195 0.0566 0.1307
Brugia malayi MH1 domain containing protein 0.0195 0.0566 0.0566
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.0284 0.0616
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0114 0.0279 0.2547
Brugia malayi MH1 domain containing protein 0.0195 0.0566 0.0566
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0908 0.308 0.3057
Brugia malayi MH2 domain containing protein 0.0195 0.0566 0.0566
Echinococcus granulosus peptidase Clp S14 family 0.0217 0.0642 0.1495
Loa Loa (eye worm) MH2 domain-containing protein 0.0087 0.0184 0.0151
Brugia malayi hypothetical protein 0.0054 0.0068 0.0068
Echinococcus multilocularis tar DNA binding protein 0.1199 0.4108 1
Echinococcus multilocularis Smad4 0.0195 0.0566 0.1307
Brugia malayi RNA recognition motif domain containing protein 0.1199 0.4108 0.4108
Schistosoma mansoni peptidase Clp (S14 family) 0.0331 0.1045 0.2484
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.0284 1
Echinococcus granulosus smad 0.0195 0.0566 0.1307
Toxoplasma gondii isocitrate dehydrogenase 0.0116 0.0284 0.2479
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0287 0.089 0.2102
Echinococcus granulosus mothers against decapentaplegic 5 0.0195 0.0566 0.1307
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0087 0.0184 0.5
Brugia malayi Latrophilin receptor protein 2 0.0287 0.089 0.089
Schistosoma mansoni Smad4 0.0195 0.0566 0.1307
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1199 0.4108 0.4088
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0114 0.0279 0.2156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0287 0.089 0.2102
Brugia malayi MH1 domain containing protein 0.0108 0.0257 0.0257
Schistosoma mansoni tar DNA-binding protein 0.1199 0.4108 1
Toxoplasma gondii isocitrate dehydrogenase 0.0116 0.0284 0.2479
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.0284 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0331 0.1045 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0033 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0217 0.0642 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 1
Brugia malayi MH2 domain containing protein 0.0195 0.0566 0.0566
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0071 0.0092
Entamoeba histolytica hypothetical protein 0.0186 0.0532 0.1014
Schistosoma mansoni tar DNA-binding protein 0.1199 0.4108 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0071 0.0092
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 1
Loa Loa (eye worm) nuclear factor I 0.0108 0.0257 0.0225
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0186 0.0532 0.1223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0071 0.0092
Schistosoma mansoni hypothetical protein 0.0186 0.0532 0.1223
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 1
Brugia malayi Isocitrate dehydrogenase 0.0116 0.0284 0.0284
Echinococcus granulosus mothers against decapentaplegic 6 0.0087 0.0184 0.037
Loa Loa (eye worm) isocitrate dehydrogenase 0.0116 0.0284 0.0252
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0114 0.0279 0.2156
Loa Loa (eye worm) TAR-binding protein 0.1199 0.4108 0.4088
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0068 0.1387
Brugia malayi Probable ClpP-like protease 0.0331 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0908 0.308 0.3057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0116 0.0284 0.0616
Schistosoma mansoni smad 0.0195 0.0566 0.1307
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0071 0.0092
Schistosoma mansoni smad1 5 8 and 0.0195 0.0566 0.1307
Loa Loa (eye worm) hypothetical protein 0.0287 0.089 0.0859
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0409 0.132 0.2616
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0116 0.0284 0.0616
Echinococcus granulosus TGF beta signal transducer SmadC 0.0195 0.0566 0.1307
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0331 0.1045 1
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0377 0.1205 0.2875
Echinococcus multilocularis mothers against decapentaplegic 5 0.0195 0.0566 0.1307
Loa Loa (eye worm) hypothetical protein 0.0108 0.0257 0.0225
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0331 0.1045 0.5
Schistosoma mansoni tar DNA-binding protein 0.1199 0.4108 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0186 0.0532 0.1223
Schistosoma mansoni Smad4 0.0087 0.0184 0.037
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0287 0.089 0.2102
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0331 0.1045 0.2484
Echinococcus multilocularis smad 0.0195 0.0566 0.1307
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0331 0.1045 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0195 0.0566 0.0534
Echinococcus multilocularis mothers against decapentaplegic 2 0.0087 0.0184 0.037
Schistosoma mansoni hypothetical protein 0.0621 0.2066 0.499
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.1438 0.495 1
Schistosoma mansoni smad1 5 8 and 0.0195 0.0566 0.1307
Loa Loa (eye worm) MH1 domain-containing protein 0.0195 0.0566 0.0534
Loa Loa (eye worm) RNA binding protein 0.1199 0.4108 0.4088
Brugia malayi Inositol-1 0.0045 0.0033 0.0033
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0033 0.5
Schistosoma mansoni hypothetical protein 0.0287 0.089 0.2102
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0195 0.0566 0.1307
Schistosoma mansoni hypothetical protein 0.0287 0.089 0.2102
Loa Loa (eye worm) hypothetical protein 0.0087 0.0184 0.0151
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0116 0.0284 1
Brugia malayi TAR-binding protein 0.1199 0.4108 0.4108
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0068 0.0344
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0331 0.1045 0.2484
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0068 0.1387
Echinococcus multilocularis GPCR, family 2 0.0287 0.089 0.2102
Echinococcus granulosus Smad4 0.0195 0.0566 0.1307
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0116 0.0284 0.2211
Loa Loa (eye worm) hypothetical protein 0.0621 0.2066 0.204
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0116 0.0284 0.0616
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0287 0.089 0.2102
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0217 0.0642 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0331 0.1045 1
Brugia malayi Smad1 0.0195 0.0566 0.0566
Brugia malayi MH2 domain containing protein 0.0087 0.0184 0.0184
Schistosoma mansoni hypothetical protein 0.0287 0.089 0.2102
Schistosoma mansoni Smad4 0.0087 0.0184 0.037
Entamoeba histolytica hypothetical protein 0.0186 0.0532 0.1014
Loa Loa (eye worm) Smad1 0.0195 0.0566 0.0534
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0033 0.5
Schistosoma mansoni smad1 5 8 and 0.0195 0.0566 0.1307
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0377 0.1205 0.2875
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0116 0.0284 0.0616
Echinococcus multilocularis mothers against decapentaplegic 6 0.0087 0.0184 0.037
Echinococcus granulosus tar DNA binding protein 0.1199 0.4108 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0287 0.089 0.0859
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0116 0.0284 1
Leishmania major hypothetical protein, conserved 0.0054 0.0068 0.1387
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0071 0.0092

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.
 
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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