Detailed information for compound 1364392

Basic information

Technical information
  • TDR Targets ID: 1364392
  • Name: 2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-N -(phenylmethyl)acetamide
  • MW: 339.415 | Formula: C17H17N5OS
  • H donors: 1 H acceptors: 4 LogP: 3.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)c1nnn(n1)CC(=O)NCc1ccccc1
  • InChi: 1S/C17H17N5OS/c1-24-15-9-7-14(8-10-15)17-19-21-22(20-17)12-16(23)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,23)
  • InChiKey: CGSOSKVWUMVLHO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]acetamide
  • 2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]-N-(phenylmethyl)ethanamide
  • SMR000074991
  • Acetamide, N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]-
  • ZINC04196954
  • A3306/0140522
  • MLS000063324
  • N-benzyl-2-{5-[4-(methylthio)phenyl]-2H-tetrazol-2-yl}acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 multilocularis glycine receptor subunit alpha 1 0.0051 0.0383 0.0813
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0024 0.0115 0.0243
Echinococcus multilocularis cpg binding protein 0.0037 0.0243 0.0515
Echinococcus multilocularis transient receptor potential cation channel 0.0015 0.0037 0.0075
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0187 0.0395
Mycobacterium tuberculosis Probable oxidoreductase 0.0015 0.0037 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0051 0.0383 0.1028
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0051 0.0383 0.0743
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Echinococcus multilocularis nAChR subunit 0.0051 0.0383 0.0813
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0051 0.0383 0.0383
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0075
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.0154 0.0154
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0472 0.0472
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0071 0.0071
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Mycobacterium ulcerans dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0015 0.0037 0.0075
Loa Loa (eye worm) hypothetical protein 0.0123 0.1087 0.2927
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0051 0.0383 0.0813
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0015 0.0037 0.0075
Loa Loa (eye worm) hypothetical protein 0.0182 0.1661 0.4476
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0015 0.0037 0.0075
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Mycobacterium ulcerans short-chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Echinococcus multilocularis geminin 0.0205 0.1877 0.3999
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0015 0.0037 0.0037
Trypanosoma brucei C-8 sterol isomerase, putative 0.0393 0.3711 1
Onchocerca volvulus 0.0024 0.0115 0.036
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0051 0.0383 0.0813
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0051 0.0383 0.0383
Loa Loa (eye worm) LGC-31 protein 0.0051 0.0383 0.1028
Brugia malayi CXXC zinc finger family protein 0.0035 0.0224 0.0224
Echinococcus granulosus carbonyl reductase 1 0.0015 0.0037 0.0075
Echinococcus multilocularis carbonyl reductase 1 0.0015 0.0037 0.0075
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0015 0.0037 0.5
Echinococcus granulosus carbonyl reductase 1 0.0015 0.0037 0.0075
Onchocerca volvulus 0.0123 0.1087 0.4813
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0051 0.0383 0.0383
Onchocerca volvulus Putative nachr subunit 0.0051 0.0383 0.1585
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0071 0.0189
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0024 0.0115 0.0307
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0051 0.0383 0.0813
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0187 0.0322
Echinococcus granulosus geminin 0.0205 0.1877 0.3999
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0015 0.0037 0.0075
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0051 0.0383 0.0743
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Echinococcus granulosus glycine receptor subunit beta 0.0051 0.0383 0.0813
Brugia malayi hypothetical protein 0.0182 0.1661 0.1661
Mycobacterium ulcerans oxidoreductase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0051 0.0383 0.0813
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0051 0.0383 0.0383
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0015 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Schistosoma mansoni acetylcholine receptor subunit beta 0.0024 0.0115 0.0169
Echinococcus granulosus NADP binding domain 0.0319 0.2989 0.6369
Schistosoma mansoni nAChR subunit 0.0024 0.0115 0.0169
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0024 0.0115 0.0243
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0015 0.0037 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0015 0.0037 0.5
Schistosoma mansoni dihydropteridine reductase 0.0319 0.2989 0.6342
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0015 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0075
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0536 0.1692
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Brugia malayi hypothetical protein 0.0024 0.0115 0.0115
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0024 0.0115 0.0243
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0015 0.0037 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.0071 0.015
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0051 0.0383 0.0743
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0051 0.0383 0.0383
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0015 0.0037 0.0075
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0071 0.015
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0051 0.0383 0.0743
Schistosoma mansoni neurotransmitter gated ion channel 0.0024 0.0115 0.0169
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0024 0.0115 0.0307
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4691 1
Mycobacterium leprae Probable oxidoreductase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0287 0.0769
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Onchocerca volvulus 0.0051 0.0383 0.1585
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0051 0.0383 0.0383
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0024 0.0115 0.0243
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0334 0.3139 0.8444
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0051 0.0383 0.0383
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0015 0.0037 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0075
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Echinococcus multilocularis glycine receptor subunit beta 0.0051 0.0383 0.0813
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0051 0.0383 0.0813
Schistosoma mansoni hypothetical protein 0.0205 0.1877 0.3953
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0051 0.0383 0.0813
Loa Loa (eye worm) ACC-1 protein 0.0051 0.0383 0.1028
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0051 0.0383 0.0813
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0015 0.0037 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Echinococcus multilocularis nAChR subunit 0.0027 0.0154 0.0325
Plasmodium vivax SET domain protein, putative 0.0031 0.0187 1
Schistosoma mansoni nAChR subunit 0.0024 0.0115 0.0169
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0051 0.0383 0.1028
Mycobacterium ulcerans dehydrogenase/reductase 0.0015 0.0037 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Loa Loa (eye worm) GABA receptor subunit 0.0027 0.0154 0.041
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0024 0.0115 0.0115
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0187 0.0508
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0015 0.0037 0.0037
Brugia malayi Pre-SET motif family protein 0.0211 0.1937 0.1937
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Giardia lamblia Hypothetical protein 0.0015 0.0037 0.5
Onchocerca volvulus 0.024 0.2219 1
Brugia malayi Cation transporter family protein 0.0051 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0123 0.1087 0.2927
Echinococcus granulosus carbonyl reductase 1 0.0015 0.0037 0.0075
Echinococcus granulosus cpg binding protein 0.0037 0.0243 0.0515
Onchocerca volvulus 0.0035 0.0224 0.0857
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0051 0.0383 0.0813
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0015 0.0037 0.0095
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Onchocerca volvulus 0.0027 0.0154 0.0536
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0051 0.0383 0.0813
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi oxidoreductase 0.0015 0.0037 0.0037
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0051 0.0383 0.0813
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0015 0.0037 0.0075
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Echinococcus granulosus nAChR subunit 0.0051 0.0383 0.0813
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0051 0.0383 0.0383
Schistosoma mansoni hypothetical protein 0.0041 0.0287 0.0537
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0187 0.0395
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0015 0.0037 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0015 0.0037 0.0075
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0071 0.015
Schistosoma mansoni hypothetical protein 0.0205 0.1877 0.3953
Schistosoma mansoni cpg binding protein 0.0035 0.0224 0.0402
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0024 0.0115 0.0243
Toxoplasma gondii 6,7-dihydropteridine reductase 0.0319 0.2989 1
Echinococcus granulosus hypothetical protein 0.0015 0.0037 0.0075
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Echinococcus granulosus glycine receptor subunit alpha 1 0.0051 0.0383 0.0813
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0051 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0031 0.0187 0.0499
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Echinococcus granulosus hypothetical protein 0.0015 0.0037 0.0075
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0051 0.0383 0.0813
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0015 0.0037 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0015 0.0037 0.0075
Echinococcus multilocularis steroid dehydrogenase 0.0015 0.0037 0.0075
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Brugia malayi excitatory GABA receptor EXP-1A 0.0051 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0051 0.0383 0.0813
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0472 0.0472
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0168 0.0356
Onchocerca volvulus 0.0027 0.0154 0.0536
Trichomonas vaginalis set domain proteins, putative 0.024 0.2219 1
Mycobacterium ulcerans ketoacyl reductase 0.0015 0.0037 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0287 0.0287
Echinococcus granulosus glycine receptor subunit alpha 1 0.0051 0.0383 0.0813
Mycobacterium tuberculosis Probable oxidoreductase 0.0015 0.0037 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0015 0.0037 0.5
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0051 0.0383 0.1028
Loa Loa (eye worm) dehydrogenase 0.0015 0.0037 0.0095
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Mycobacterium tuberculosis Possible oxidoreductase 0.0015 0.0037 0.5
Brugia malayi hypothetical protein 0.0024 0.0115 0.0115
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi hypothetical protein 0.0015 0.0037 0.0037
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0015 0.0037 0.0075
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0051 0.0383 0.0383
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0051 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.006 0.0472 0.1268
Echinococcus multilocularis carbonyl reductase 1 0.0015 0.0037 0.0075
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0015 0.0037 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0243 0.0443
Brugia malayi Pre-SET motif family protein 0.0031 0.0187 0.0187
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4691 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0019 0.0071 0.0189
Mycobacterium ulcerans carveol-like dehydrogenase 0.0015 0.0037 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0123 0.1087 0.2256
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0015 0.0037 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0051 0.0383 0.0813
Echinococcus granulosus steroid dehydrogenase 0.0015 0.0037 0.0075
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0613 0.1237
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0472 0.1268
Mycobacterium tuberculosis Possible oxidoreductase 0.0015 0.0037 0.5
Schistosoma mansoni acetylcholine receptor-related 0.0024 0.0115 0.0169
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0123 0.1087 0.2256
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0027 0.0154 0.0154
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0051 0.0383 0.0813
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Schistosoma mansoni neurotransmitter gated ion channel 0.0024 0.0115 0.0169
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0071 0.015
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0027 0.0154 0.0251
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0024 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Loa Loa (eye worm) acetylcholine receptor protein 0.0024 0.0115 0.0307
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0051 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Onchocerca volvulus 0.0031 0.0187 0.0687
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0051 0.0383 0.0383
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0024 0.0115 0.0115
Echinococcus granulosus nAChR subunit 0.0027 0.0154 0.0325
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0015 0.0037 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0071 0.015
Brugia malayi Cation transporter family protein 0.0051 0.0383 0.0383
Brugia malayi dehydrogenases, short chain protein 2 0.0015 0.0037 0.0037
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0015 0.0037 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0015 0.0037 0.0075
Echinococcus multilocularis retinol dehydrogenase 13 0.0015 0.0037 0.0075
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.0154 0.0251
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0027 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0051 0.0383 0.0813
Loa Loa (eye worm) hypothetical protein 0.0201 0.1841 0.4959
Echinococcus multilocularis retinol dehydrogenase 11 0.0015 0.0037 0.0075
Loa Loa (eye worm) ACC-1 protein 0.0051 0.0383 0.1028
Schistosoma mansoni hypothetical protein 0.0019 0.0071 0.0075
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Mycobacterium ulcerans short-chain type oxidoreductase 0.0015 0.0037 0.5
Loa Loa (eye worm) dehydrogenase 0.0015 0.0037 0.0095
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0015 0.0037 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0015 0.0037 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0015 0.0037 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0015 0.0037 0.5
Entamoeba histolytica hypothetical protein 0.0027 0.0154 1
Schistosoma mansoni nAChR subunit 0.0051 0.0383 0.0743
Echinococcus multilocularis oxidoreductase 0.0015 0.0037 0.0075
Echinococcus multilocularis conserved hypothetical protein 0.0015 0.0037 0.0075
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Echinococcus granulosus WW domain containing oxidoreductase 0.0015 0.0037 0.0075
Echinococcus multilocularis glycine receptor subunit beta 0.0051 0.0383 0.0813
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0187 0.0322
Echinococcus granulosus GPCR family 2 0.0019 0.0071 0.015
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0187 0.0395
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Brugia malayi dihydropteridine reductase-like 0.0319 0.2989 0.2989
Echinococcus granulosus retinol dehydrogenase 11 0.0015 0.0037 0.0075
Echinococcus multilocularis steroid dehydrogenase 0.0015 0.0037 0.0075
Echinococcus granulosus oxidoreductase 0.0015 0.0037 0.0075
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0015 0.0037 0.0075
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0015 0.0037 0.5
Mycobacterium ulcerans oxidoreductase 0.0015 0.0037 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0224 0.0599
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Echinococcus granulosus retinol dehydrogenase 11 0.0015 0.0037 0.0075
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0051 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0051 0.0383 0.1028
Mycobacterium tuberculosis Probable dehydrogenase 0.0015 0.0037 0.5
Onchocerca volvulus 0.0182 0.1661 0.7445
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Onchocerca volvulus 0.0024 0.0115 0.036
Brugia malayi hypothetical protein 0.0024 0.0115 0.0115
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0015 0.0037 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Brugia malayi hypothetical protein 0.0024 0.0115 0.0115
Onchocerca volvulus 0.0123 0.1087 0.4813
Onchocerca volvulus 0.0123 0.1087 0.4813
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0051 0.0383 0.0813
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0015 0.0037 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0051 0.0383 0.0383
Mycobacterium tuberculosis Probable oxidoreductase 0.0015 0.0037 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0024 0.0115 0.0115
Giardia lamblia Reductase, putative 0.0015 0.0037 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0015 0.0037 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0051 0.0383 0.0383
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0051 0.0383 0.0813
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0015 0.0037 0.5
Brugia malayi Retinol dehydrogenase 12 0.0015 0.0037 0.0037
Echinococcus multilocularis NAD(P) binding domain 0.0319 0.2989 0.6369
Mycobacterium ulcerans short-chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Brugia malayi Cation transporter family protein 0.0123 0.1087 0.1087
Leishmania major quinonoid dihydropteridine reductase 0.0334 0.3139 0.8444
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0393 0.3711 0.3711
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0015 0.0037 0.0075
Brugia malayi dehydrogenases, short chain protein 9 0.0015 0.0037 0.0037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0187 0.0322
Mycobacterium ulcerans ketoacyl reductase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0095
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Brugia malayi hypothetical protein 0.0024 0.0115 0.0115
Mycobacterium tuberculosis Probable oxidoreductase 0.0015 0.0037 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Echinococcus granulosus carbonyl reductase 1 0.0015 0.0037 0.0075
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0393 0.3711 1
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0015 0.0037 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.1937 0.5218
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0024 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Loa Loa (eye worm) hypothetical protein 0.0393 0.3711 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0187 0.0322
Loa Loa (eye worm) oxidoreductase 0.0015 0.0037 0.0095
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Brugia malayi Dehydrogenases, short chain protein 2 0.0015 0.0037 0.0037
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.01 0.0858 0.231
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0051 0.0383 0.0813
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0243 0.0443
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0024 0.0115 0.0115
Onchocerca volvulus 0.0051 0.0383 0.1585
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0051 0.0383 0.1028
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Schistosoma mansoni hypothetical protein 0.0494 0.4691 1
Loa Loa (eye worm) dihydropteridine reductase-PC 0.0319 0.2989 0.8053
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.0154 0.0154
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0051 0.0383 0.1028
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0051 0.0383 0.0813
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0154 0.041
Mycobacterium tuberculosis Probable oxidoreductase 0.0015 0.0037 0.5
Schistosoma mansoni neurotransmitter gated ion channel 0.0027 0.0154 0.0251
Brugia malayi hypothetical protein 0.0015 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0024 0.0115 0.0307
Leishmania major C-8 sterol isomerase-like protein 0.0393 0.3711 1
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0015 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0015 0.0037 0.5
Onchocerca volvulus 0.0051 0.0383 0.1585
Loa Loa (eye worm) hypothetical protein 0.0051 0.0383 0.1028
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0015 0.0037 0.5
Onchocerca volvulus 0.0024 0.0115 0.036
Mycobacterium tuberculosis Probable oxidoreductase 0.0015 0.0037 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 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) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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