Detailed information for compound 1397534

Basic information

Technical information
  • TDR Targets ID: 1397534
  • Name: N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2 -yl]-3-phenylpropanamide
  • MW: 321.418 | Formula: C14H15N3O2S2
  • H donors: 1 H acceptors: 4 LogP: 2.36 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(s1)SCC(=O)C)CCc1ccccc1
  • InChi: 1S/C14H15N3O2S2/c1-10(18)9-20-14-17-16-13(21-14)15-12(19)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16,19)
  • InChiKey: VTJXABDQSDEHJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenyl-propanamide
  • N-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
  • N-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide
  • N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide
  • STK007584
  • MLS000535041
  • SMR000142478
  • ZINC00469214
  • N-{5-[(2-oxopropyl)thio]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus inositol monophosphatase 1 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
Loa Loa (eye worm) inositol-1 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
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 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
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], 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
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, 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
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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum 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:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana 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
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
Entamoeba histolytica myo-inositol monophosphatase, 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
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 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
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 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
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 %
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 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
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 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0095 0.0267
Mycobacterium tuberculosis Conserved hypothetical protein 0.0444 0.2736 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0001 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.139
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0036 0.0085
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0212 0.0212
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0047 0.0047
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2236 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0286 0.0286
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0329 0.0773
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1688 0.5884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0001 0.0007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0001 0.0003
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0095 0.2157
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0001 0.0003
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0095 0.0267
Mycobacterium ulcerans hypothetical protein 0.0444 0.2736 1
Schistosoma mansoni kinase 0.0048 0.0243 0.057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0286 0.0671
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0219 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0235 0.0091
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0212 0.0497
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.005 0.0251 0.1643
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0156 0.1022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0169 0.1109
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0047 0.0109
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0095 0.4914
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0219 0.0028
Mycobacterium leprae Conserved hypothetical protein 0.0444 0.2736 1
Leishmania major hypothetical protein, conserved 0.0025 0.0095 0.0267
Schistosoma mansoni coup transcription factor 0.001 0.0001 0.0003
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0156 0.0543
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0286 0.1876
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0001 0.0007
Echinococcus granulosus FTZ F1 alpha 0.001 0.0001 0.0003
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0087
Schistosoma mansoni inositol monophosphatase 0.0045 0.0219 0.0514
Brugia malayi Inositol-1 0.0045 0.0219 0.0801
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0219 0.0514
Echinococcus granulosus geminin 0.0169 0.1 0.2346
Loa Loa (eye worm) RNA binding protein 0.0062 0.0329 0.216
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0219 0.0219
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0157 0.0368
Mycobacterium tuberculosis Conserved protein 0.0444 0.2736 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0001 0.0004
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0444 0.2736 0.6417
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0329 0.1204
Leishmania major hypothetical protein, conserved 0.0043 0.0212 0.0798
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0001 0.0004
Brugia malayi jmjC domain containing protein 0.0059 0.0307 0.1121
Trichomonas vaginalis peptide N-glycanase, putative 0.0444 0.2736 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0538 0.3527
Mycobacterium ulcerans transglutaminase family protein 0.0444 0.2736 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0036 0.0239
Brugia malayi nuclear hormone receptor 0.001 0.0001 0.0004
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1026 0.4497
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0037 0.0135
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.139
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0156 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0538 0.228
Loa Loa (eye worm) hypothetical protein 0.0034 0.0152 0.0995
Onchocerca volvulus 0.0037 0.0169 0.0228
Brugia malayi hypothetical protein 0.0016 0.004 0.0144
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0329 0.0773
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0001 0.0003
Brugia malayi jmjC domain containing protein 0.0016 0.0036 0.0133
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0156 0.0156
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2236 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0317 0.0743
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0025 0.0095 0.0624
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0037
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0036 0.0239
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0001 0.0004
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0116 0.0757
Brugia malayi beta-lactamase family protein 0.0043 0.0212 0.0775
Echinococcus multilocularis cpg binding protein 0.003 0.0126 0.0126
Brugia malayi Thioredoxin family protein 0.0444 0.2736 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0095 0.3345
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.139
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0219 0.0831
Schistosoma mansoni cpg binding protein 0.003 0.0126 0.0295
Echinococcus granulosus tar DNA binding protein 0.0062 0.0329 0.0773
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0219 0.0831
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0001 0.0004
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1744 0.607
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0307 0.072
Loa Loa (eye worm) hypothetical protein 0.0016 0.0036 0.0239
Brugia malayi Pre-SET motif family protein 0.0252 0.1525 0.5575
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0538 0.0538
Schistosoma mansoni cpg binding protein 0.003 0.0126 0.0295
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0001 0.0003
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0283 0.904
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2236 1
Brugia malayi ecdysteroid receptor 0.001 0.0001 0.0004
Onchocerca volvulus 0.0043 0.0212 0.0287
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0156 0.0543
Brugia malayi jmjC domain containing protein 0.0016 0.0036 0.0133
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0317 0.0743
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0001 0.0003
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0538 0.228
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0095 0.4914
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0251 0.0916
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0169 0.4872
Echinococcus granulosus Transglutaminase 0.0444 0.2736 0.6417
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0001 0.0004
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0036 0.0036
Giardia lamblia Hypothetical protein 0.0444 0.2736 1
Onchocerca volvulus 0.0287 0.1744 0.2368
Schistosoma mansoni hypothetical protein 0.0169 0.1 0.2346
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0001 0.0007
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0001 0.0003
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0036 0.0085
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0001 0.0003
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0538 0.228
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1525 1
Mycobacterium leprae Conserved hypothetical protein 0.0444 0.2736 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0001 0.0004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0323 0.0757
Mycobacterium ulcerans putative transglutaminase-like protein 0.0444 0.2736 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0037 0.0135
Brugia malayi beta-lactamase 0.0043 0.0212 0.0775
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0307 0.0307
Mycobacterium ulcerans hypothetical protein 0.0444 0.2736 1
Brugia malayi follicle stimulating hormone receptor 0.0237 0.1431 0.523
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0212 0.0798
Brugia malayi hypothetical protein 0.0025 0.0095 0.0348
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0016 0.0037 0.0243
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0036 0.0085
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0235 0.0091
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0001 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0212 0.0798
Plasmodium vivax SET domain protein, putative 0.0037 0.0169 0.7555
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0001 0.0001
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0001 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0329 0.0773
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0332 0.1343
Echinococcus multilocularis microtubule associated protein 2 0.0687 0.4264 0.4264
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0307 0.072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0286 0.0671
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0212 0.0088
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0001 0.0004
Mycobacterium tuberculosis Long conserved protein 0.0444 0.2736 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0009 0.002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0329 0.216
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0251 0.0916
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0169 0.0397
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0009 0.0009
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0307 0.0307
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0219 0.0028
Mycobacterium tuberculosis Conserved hypothetical protein 0.0444 0.2736 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0152 0.0555
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0212 0.0798
Mycobacterium tuberculosis Hypothetical protein 0.0444 0.2736 1
Brugia malayi steroid hormone receptor 0.001 0.0001 0.0004
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1148 0.3765
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0036 0.0239
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0001 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0001 0.0007
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0036 0.0085
Brugia malayi jmjC domain containing protein 0.0016 0.0036 0.0133
Schistosoma mansoni hypothetical protein 0.0169 0.1 0.2346
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0538 0.1966
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0001 0.0003
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0538 0.0729
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.139
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0286 0.0671
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0212 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0286 0.0671
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0286 0.0671
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0219 0.6709
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0169 0.0169
Schistosoma mansoni cpg binding protein 0.0028 0.0116 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0001 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0317 0.0743
Echinococcus granulosus GPCR family 2 0.0016 0.0037 0.0087
Loa Loa (eye worm) histone methyltransferase 0.001 0.0001 0.0009
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0001 0.0003
Onchocerca volvulus 0.0043 0.0212 0.0287
Mycobacterium leprae Probable lipase LipE 0.0043 0.0212 0.0088
Schistosoma mansoni thyroid hormone receptor 0.001 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0016 0.0036 0.0239
Echinococcus granulosus phd:f box containing protein 0.0016 0.0036 0.0085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0286 0.0286
Echinococcus multilocularis GPCR, family 2 0.0016 0.0037 0.0037
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0001 0.0007
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.1431 0.9382
Toxoplasma gondii hypothetical protein 0.0059 0.0309 1
Onchocerca volvulus 0.0043 0.0212 0.0287
Schistosoma mansoni inositol monophosphatase 0.0045 0.0219 0.0514
Onchocerca volvulus 0.0028 0.0116 0.0155
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0212 0.0775
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0261 0.1022
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0156 0.0366
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0538 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0001 0.0004
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0212 0.0088
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0169 0.0397
Brugia malayi RNA binding protein 0.0062 0.0329 0.1204
Echinococcus multilocularis geminin 0.0169 0.1 0.1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0001 0.0001
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0036 0.0036
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0156 0.439
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0261 0.1022
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0156 0.0543
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0036 0.0085
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0156 0.6807
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0212 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0001 0.0004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0001 0.0004
Schistosoma mansoni nuclear hormone receptor 0.001 0.0001 0.0003
Mycobacterium tuberculosis Conserved protein 0.0043 0.0212 0.0088
Echinococcus granulosus cpg binding protein 0.003 0.0126 0.0295
Echinococcus multilocularis Transglutaminase 0.0444 0.2736 0.2736
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.139
Loa Loa (eye worm) inositol-1 0.0045 0.0219 0.1436
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0329 0.216
Schistosoma mansoni thyroid hormone receptor 0.001 0.0001 0.0003
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2236 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0087
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0212 0.0088
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0538 0.1262
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0087
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0219 0.0831
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0538 0.1262
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0095 0.0267
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Mycobacterium tuberculosis Conserved protein 0.0043 0.0212 0.0088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.139
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0001 0.0004
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0846 0.5549
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0212 0.0497
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0169 0.0169
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0087
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0212 0.0088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0286 0.1046
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0001 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0538 0.1291
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0087
Schistosoma mansoni hypothetical protein 0.0011 0.0009 0.002
Mycobacterium ulcerans hypothetical protein 0.0192 0.1148 0.371
Leishmania major hypothetical protein, conserved 0.0035 0.0156 0.0543
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Brugia malayi jmjC domain containing protein 0.006 0.0317 0.1158
Onchocerca volvulus 0.1178 0.7363 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0329 0.0773
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0001 0.0001
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0001 0.0003
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0317 0.2078
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0212 0.0088
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0212 0.0088
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0219 0.0028
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0001 0.0003
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0212 0.139
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0219 0.0831
Giardia lamblia Transglutaminase/protease, putative 0.0444 0.2736 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0001 0.0004
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0001 0.0004
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0219 0.0028
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0156 0.439
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0001 0.0003
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0036 0.0085
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0007
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0036 0.0085
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0037 0.0243
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0212 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0001 0.0001
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1026 0.4497
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0001 0.0004
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0846 0.5549
Brugia malayi nuclear receptor NHR-88 0.001 0.0001 0.0004
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0261 0.1022
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0169 0.0397
Brugia malayi CXXC zinc finger family protein 0.0028 0.0116 0.0422
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0087
Brugia malayi Pre-SET motif family protein 0.0037 0.0169 0.0618
Brugia malayi beta-lactamase family protein 0.0043 0.0212 0.0775
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0169 0.0397
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0001 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0001 0.0007
Brugia malayi Augmenter of liver regeneration 0.0035 0.0156 0.057
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0261 0.1022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0001 0.0007
Mycobacterium tuberculosis Conserved protein 0.0043 0.0212 0.0088
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0169 0.0397
Schistosoma mansoni hypothetical protein 0.0034 0.0152 0.0356
Toxoplasma gondii ABC1 family protein 0.0043 0.0212 0.6449
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0156 0.0543
Brugia malayi MH2 domain containing protein 0.0144 0.0846 0.3093
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1026 0.4497
Brugia malayi TAR-binding protein 0.0062 0.0329 0.1204
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0036 0.0085
Echinococcus granulosus microtubule associated protein 2 0.0687 0.4264 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0212 0.0497
Trypanosoma brucei polo-like protein kinase 0.0095 0.0538 0.228
Brugia malayi jmjC domain containing protein 0.0016 0.0036 0.0133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0251 0.1643
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0001 0.0001
Schistosoma mansoni microtubule-associated protein tau 0.0687 0.4264 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0036 0.0239
Loa Loa (eye worm) beta-lactamase 0.0043 0.0212 0.139
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0329 0.0773

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 1 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) 1 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 7.9433 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) = 28.1838 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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