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

Hover on a compound node to display the structore

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 apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G 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 multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.