Detailed information for compound 1267572

Basic information

Technical information
  • TDR Targets ID: 1267572
  • Name: 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2 -[1-(4-methylphenyl)tetrazol-5-yl]sulfanyleth anone
  • MW: 412.853 | Formula: C18H13ClN6O2S
  • H donors: 0 H acceptors: 6 LogP: 4.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1nnnc1SCC(=O)c1nnc(o1)c1ccc(cc1)Cl
  • InChi: 1S/C18H13ClN6O2S/c1-11-2-8-14(9-3-11)25-18(22-23-24-25)28-10-15(26)17-21-20-16(27-17)12-4-6-13(19)7-5-12/h2-9H,10H2,1H3
  • InChiKey: GNILPEGRZLABIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-ethanone
  • 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]ethanone
  • 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[[1-(4-methylphenyl)tetrazol-5-yl]thio]ethanone
  • 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone
  • SMR000061823
  • MLS000055255
  • ZINC03287828
  • T0511-7008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0663 0.0663
Onchocerca volvulus 0.0286 0.3335 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1607 0.5519
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0141 0.0141
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0695 0.0695
Onchocerca volvulus 0.0036 0.029 0.0871
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0395 0.0395
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0395 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0695 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0141 0.0485
Loa Loa (eye worm) hypothetical protein 0.0019 0.0083 0.0286
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3335 1
Schistosoma mansoni rab6-interacting 0.0024 0.0141 0.0141
Echinococcus multilocularis geminin 0.0205 0.2343 0.2343
Treponema pallidum hypothetical protein 0.0345 0.4048 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.4048 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0395 0.0395
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0395 0.0395
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0638 0.2192
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0141 0.0059
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.4048 1
Brugia malayi RNA binding protein 0.0063 0.0619 0.2126
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0141 0.0141
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0695 0.1468
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0619 0.0619
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0585 0.2007
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.4048 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0619 0.0619
Brugia malayi hypothetical protein 0.0024 0.0141 0.0485
Schistosoma mansoni loxhd1 0.0024 0.0141 0.0141
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0395 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0619 0.2126
Schistosoma mansoni lipoxygenase 0.0024 0.0141 0.0141
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.029 0.029
Echinococcus multilocularis GPCR, family 2 0.0019 0.0083 0.0083
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0663 0.0663
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0083 0.0083
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0274 0.0274
Onchocerca volvulus 0.0024 0.0141 0.0424
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0083 0.0286
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0619 0.2126
Plasmodium vivax SET domain protein, putative 0.0036 0.029 0.0439
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0353 0.1211
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0083 0.0286
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0083 0.0083
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0395 0.1357
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0395 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0395 0.4804
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0395 0.0862
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0083 0.0083
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.4048 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0395 0.1357
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0619 0.2126
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0395 0.0395
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0619 0.0619
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0695 0.1468
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0695 0.0695
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0395 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0585 0.2007
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0695 0.2387
Loa Loa (eye worm) hypothetical protein 0.0041 0.0353 0.1211
Loa Loa (eye worm) hypothetical protein 0.006 0.0585 0.2007
Brugia malayi MH2 domain containing protein 0.0144 0.1607 0.5519
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.029 0.029
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0141 0.0141
Echinococcus multilocularis RUN 0.0024 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0036 0.029 0.0997
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0619 0.0619
Brugia malayi TAR-binding protein 0.0063 0.0619 0.2126
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.029 0.029
Schistosoma mansoni rab6-interacting 0.0024 0.0141 0.0141
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.029 0.029
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0395 0.0862
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0585 0.2007
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1607 0.5519
Schistosoma mansoni polycystin 1-related 0.0024 0.0141 0.0141
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0141 0.0141
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.4048 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0395 0.0395
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0118 0.0405
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0395 0.0395
Echinococcus granulosus geminin 0.0205 0.2343 0.2343
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0118 0.5
Schistosoma mansoni lipoxygenase 0.0067 0.0663 0.0663
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0395 0.0395
Brugia malayi Pre-SET motif family protein 0.0036 0.029 0.0997
Schistosoma mansoni hypothetical protein 0.0041 0.0353 0.0353
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.029 0.029
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0141 0.0059
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0141 0.0141
Echinococcus granulosus tar DNA binding protein 0.0063 0.0619 0.0619
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.029 0.029
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0395 0.0862
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0118 0.0118
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.029 0.029
Brugia malayi Doublecortin family protein 0.0024 0.0141 0.0485
Brugia malayi Pre-SET motif family protein 0.0251 0.2912 1
Onchocerca volvulus 0.0024 0.0141 0.0424
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0395 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0118 0.0118
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0619 0.0619
Echinococcus granulosus RUN 0.0024 0.0141 0.0141
Schistosoma mansoni hypothetical protein 0.0205 0.2343 0.2343
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0695 0.0695
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0141 0.0141
Echinococcus granulosus GPCR family 2 0.0019 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0205 0.2343 0.2343
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0083 0.0286
Loa Loa (eye worm) RNA binding protein 0.0063 0.0619 0.2126
Schistosoma mansoni hypothetical protein 0.0024 0.0141 0.0141
Schistosoma mansoni ap endonuclease 0.0022 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0024 0.0141 0.0485
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0083 0.0083
Schistosoma mansoni ap endonuclease 0.0022 0.0118 0.0118
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0619 0.0619
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0395 0.0395
Brugia malayi hypothetical protein 0.0024 0.0141 0.0485
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0695 0.1468
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.029 1
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0118 0.0405
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2912 1
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0141 0.0485
Schistosoma mansoni hypothetical protein 0.0019 0.0083 0.0083

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 8.61 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 41.9 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 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) 11.2202 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) 12.9953 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 (binding) = 19.9526 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) 23.29 uM PUBCHEM_BIOASSAY: Inhibitors of 12-hLO (12-human lipoxygenase): Cuvette-Based Hit Assay for Validation of Follow up Compounds. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1452, AID2162, AID2163, AID2164, AID2584] ChEMBL. No reference
Potency (functional) 30.1313 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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