Detailed information for compound 1851166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.536 | Formula: C21H18N6O3S2
  • H donors: 2 H acceptors: 4 LogP: 3.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c(N=Nc2ccc(cc2)S(=O)(=O)N)c([nH]n1c1ccccc1)CSc1ccccn1
  • InChi: 1S/C21H18N6O3S2/c22-32(29,30)17-11-9-15(10-12-17)24-25-20-18(14-31-19-8-4-5-13-23-19)26-27(21(20)28)16-6-2-1-3-7-16/h1-13,26H,14H2,(H2,22,29,30)
  • InChiKey: POYVWYINJHISNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 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 major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
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
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative 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
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
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 300 aa 22.0 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
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 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 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 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0122 0.039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0218 0.0218
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0374 0.0429
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4106 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0175 0.0205
Mycobacterium leprae conserved hypothetical protein 0.004 0.0269 0.1388
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0315
Loa Loa (eye worm) hypothetical protein 0.004 0.0261 0.0305
Loa Loa (eye worm) TTK protein kinase 0.0715 0.8549 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0269 0.0269
Brugia malayi Heterochromatin protein 1 0.0081 0.0768 0.0898
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0315
Echinococcus granulosus tumor protein p63 0.0755 0.9044 0.9044
Echinococcus multilocularis chromobox protein 1 0.0081 0.0768 0.0768
Brugia malayi intermediate filament protein 0.0033 0.0175 0.0205
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0269 0.0894
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0265 0.1367
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0374 0.0238
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0315
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0218 0.0218
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0175 0.0205
Loa Loa (eye worm) hypothetical protein 0.0036 0.0211 0.0247
Brugia malayi Inositol-1 0.0045 0.0323 0.0377
Schistosoma mansoni hypothetical protein 0.004 0.0261 0.0261
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0269 0.0306
Leishmania major hypothetical protein, conserved 0.004 0.0269 0.7338
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0374 0.0429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0218 0.0218
Mycobacterium tuberculosis Conserved protein 0.004 0.0269 0.0894
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0485 0.0568
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0269 0.0894
Onchocerca volvulus 0.004 0.0269 0.0113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Schistosoma mansoni apoferritin-2 0.0019 0.0008 0.0008
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.1007 0.1178
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0485 0.0568
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0269 0.1388
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0269 0.0894
Schistosoma mansoni chromobox protein 0.0081 0.0768 0.0768
Onchocerca volvulus 0.0286 0.3285 0.3714
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3285 0.3837
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0269 0.0306
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0332 0.0187
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0323 1
Echinococcus multilocularis chromobox protein 1 0.0081 0.0768 0.0768
Plasmodium vivax SET domain protein, putative 0.0036 0.0218 0.6504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Schistosoma mansoni chromobox protein 0.0081 0.0768 0.0768
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0332 0.0379
Onchocerca volvulus 0.0049 0.038 0.0245
Echinococcus multilocularis lamin dm0 0.0033 0.0175 0.0175
Brugia malayi Protein kinase domain containing protein 0.0715 0.8549 1
Schistosoma mansoni ferritin 0.0019 0.0008 0.0008
Schistosoma mansoni ferritin 0.0019 0.0008 0.0008
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0269 0.0894
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 1
Echinococcus multilocularis ferritin 0.0019 0.0008 0.0008
Brugia malayi beta-lactamase 0.004 0.0269 0.0315
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4106 1
Giardia lamblia Kinase, TTK 0.0715 0.8549 1
Onchocerca volvulus 0.004 0.0269 0.0113
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0175 0.0205
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0715 0.8549 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0269 0.0894
Schistosoma mansoni cellular tumor antigen P53 0.0111 0.1132 0.1132
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0323 0.0368
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0169 0.0189
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0269 0.0306
Schistosoma mansoni ferritin 0.0019 0.0008 0.0008
Echinococcus granulosus chromobox protein 1 0.0081 0.0768 0.0768
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0269 0.0269
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0323 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0315
Onchocerca volvulus 0.004 0.0269 0.0113
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0269 0.7338
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0122 0.0605
Loa Loa (eye worm) hypothetical protein 0.0033 0.0175 0.0205
Mycobacterium ulcerans hypothetical protein 0.004 0.0269 0.1388
Echinococcus granulosus expressed protein 0.0019 0.0008 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0269 0.0306
Plasmodium vivax hypothetical protein, conserved 0.004 0.0269 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0715 0.8549 0.8549
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0218 0.0218
Schistosoma mansoni ferritin light chain 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0315
Loa Loa (eye worm) hypothetical protein 0.0045 0.0332 0.0388
Brugia malayi beta-lactamase family protein 0.004 0.0269 0.0315
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0269 0.0894
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0122 0.362
Onchocerca volvulus 0.0036 0.0211 0.0044
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0269 0.0894
Trichomonas vaginalis CAMK family protein kinase 0.0715 0.8549 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0485 0.0568
Schistosoma mansoni apoferritin-2 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0111 0.1132 0.1324
Loa Loa (eye worm) hypothetical protein 0.0032 0.0168 0.0196
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0122 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0323 0.0323
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0122 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0323 0.1671
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1891 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0122 0.0605
Schistosoma mansoni lamin 0.0033 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0315
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0269 0.0315
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0323 0.0323
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4106 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0269 0.0894
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.0768 0.0898
Onchocerca volvulus 0.01 0.1007 0.0994
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0269 0.0315
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0323 0.0368
Schistosoma mansoni inositol monophosphatase 0.0045 0.0323 0.0323
Schistosoma mansoni ferritin light chain 0.0019 0.0008 0.0008
Brugia malayi chromobox protein homolog 3 0.0045 0.0332 0.0388
Schistosoma mansoni inositol monophosphatase 0.0045 0.0323 0.0323
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.1007 0.1007
Onchocerca volvulus 0.0111 0.1132 0.1143
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0768 0.089
Trichomonas vaginalis esterase, putative 0.004 0.0269 0.0306
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0269 0.0269
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0269 0.0894
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0261 0.0305
Loa Loa (eye worm) inositol-1 0.0045 0.0323 0.0377
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2859 0.3344
Brugia malayi Pre-SET motif family protein 0.0036 0.0218 0.0255
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0715 0.8549 0.8549
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0122 0.0278
Schistosoma mansoni intermediate filament proteins 0.0033 0.0175 0.0175
Echinococcus granulosus chromobox protein 1 0.0081 0.0768 0.0768
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0323 0.0368
Toxoplasma gondii ABC1 family protein 0.004 0.0269 0.7338
Loa Loa (eye worm) hypothetical protein 0.0036 0.0218 0.0255
Trichomonas vaginalis CAMK family protein kinase 0.0715 0.8549 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 1
Schistosoma mansoni ferritin 0.0019 0.0008 0.0008
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis lamin 0.0033 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.01 0.1007 0.1178
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0269 0.0315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0218 0.0218
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0269 0.0269
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1891 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2859 0.3344
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0218 0.4773
Schistosoma mansoni lamin 0.0033 0.0175 0.0175
Mycobacterium ulcerans lipase LipD 0.004 0.0269 0.1388
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.1007 0.1007
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0218 0.0218
Echinococcus granulosus lamin 0.0033 0.0175 0.0175
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0269 0.0306
Brugia malayi beta-lactamase family protein 0.004 0.0269 0.0315
Echinococcus granulosus ferritin 0.0019 0.0008 0.0008
Mycobacterium ulcerans beta-lactamase 0.004 0.0269 0.1388
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0332 0.0379
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0323 0.0504
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0049 0.038 0.038
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.293 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Echinococcus granulosus intermediate filament protein 0.0033 0.0175 0.0175
Echinococcus granulosus lamin dm0 0.0033 0.0175 0.0175
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1891 0.6443
Echinococcus multilocularis musashi 0.0033 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0058 0.0485 0.0568
Echinococcus multilocularis tumor protein p63 0.0755 0.9044 0.9044
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0122 0.0605
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0715 0.8549 0.8549
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4106 0.4798
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0169 0.0189
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0768 0.089
Mycobacterium leprae Probable lipase LipE 0.004 0.0269 0.1388
Echinococcus multilocularis expressed protein 0.0019 0.0008 0.0008
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0269 0.1388
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.1007 0.1007
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0201 0.0201
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0265 0.0881

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 11.2202 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) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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