Detailed information for compound 1476840

Basic information

Technical information
  • TDR Targets ID: 1476840
  • Name: 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-th iazol-5-yl]ethanone
  • MW: 330.628 | Formula: C12H9BrClNOS
  • H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCC(=O)c1sc(nc1C)c1ccc(cc1)Cl
  • InChi: 1S/C12H9BrClNOS/c1-7-11(10(16)6-13)17-12(15-7)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3
  • InChiKey: MDZFMZALZSZQSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]ethanone
  • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]ethanone
  • 5R-1001
  • ZINC00161992
  • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
  • MLS000721489
  • SMR000337120

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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 regulator of G protein signaling 7 0.0011 0.0037 0.0037
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0138 0.0138
Toxoplasma gondii lactate dehydrogenase LDH2 0.0646 0.7726 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0055 0.0055
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0055 0.0055
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0037 0.0037
Leishmania major glycosomal malate dehydrogenase 0.0251 0.2947 0.3701
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0048
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0138 0.0138
Brugia malayi isocitrate dehydrogenase 0.0019 0.0138 0.0179
Leishmania major malate dehydrogenase, putative 0.0646 0.7726 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0037 0.0037
Toxoplasma gondii malate dehydrogenase MDH 0.0646 0.7726 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0795 0.0866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0055 0.0071
Loa Loa (eye worm) malate dehydrogenase 0.0251 0.2947 0.3814
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0055 0.0071
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0251 0.2947 0.3814
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0055 0.0055
Echinococcus granulosus lactate dehydrogenase a 0.0646 0.7726 0.7726
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0055 0.0055
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.2548 0.3298
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0037 0.0037
Schistosoma mansoni malate dehydrogenase 0.0646 0.7726 0.7726
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Plasmodium vivax lactate dehydrogenase 0.0646 0.7726 1
Leishmania major cytosolic malate dehydrogenase 0.0251 0.2947 0.3701
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0055 0.0217
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0055 0.0071
Echinococcus granulosus L lactate dehydrogenase B chain 0.0646 0.7726 0.7726
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0037 0.0037
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0055 0.0055
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0055 0.0055
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0251 0.2947 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0055 0.0071
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0055 0.0055
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0037 0.0037
Echinococcus multilocularis malate dehydrogenase 0.0251 0.2947 0.2947
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0055 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0055 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0055 0.0071
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0138 0.047
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Entamoeba histolytica malate dehydrogenase, putative 0.0646 0.7726 1
Echinococcus multilocularis malate dehydrogenase 0.0251 0.2947 0.2947
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0138 0.0138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0055 0.0071
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0251 0.2947 1
Entamoeba histolytica malate dehydrogenase, putative 0.0251 0.2947 0.3814
Trichomonas vaginalis malate dehydrogenase, putative 0.0122 0.1388 0.4711
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0055 0.0055
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2548 1
Schistosoma mansoni malate dehydrogenase 0.0251 0.2947 0.2947
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0646 0.7726 0.5
Plasmodium vivax malate dehydrogenase, putative 0.0646 0.7726 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0795 0.0795
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0048
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0055 0.0071
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0251 0.2947 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0055 0.0071
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0048
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0251 0.2947 0.3701
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0138 0.0138
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0055 0.0071
Echinococcus multilocularis lactate dehydrogenase protein 0.0646 0.7726 0.7726
Echinococcus granulosus geminin 0.0205 0.2386 0.2386
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0055 0.0217
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0055 0.0071
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0037 0.0048
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0055 0.0055
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0251 0.2947 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0055 0.0055
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0037 0.0037
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0037 0.0048
Schistosoma mansoni coup transcription factor 0.0012 0.0055 0.0055
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0037 0.0037
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0055 0.0071
Echinococcus multilocularis lactate dehydrogenase a 0.0646 0.7726 0.7726
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0138 0.0179
Schistosoma mansoni dishevelled 0.0011 0.0037 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0055 0.0071
Echinococcus granulosus cytosolic malate dehydrogenase 0.0251 0.2947 0.2947
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0055 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0055 0.0071
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0055 0.0217
Plasmodium falciparum L-lactate dehydrogenase 0.0646 0.7726 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0055 0.0055
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0055 0.0055
Leishmania major mitochondrial malate dehydrogenase 0.0251 0.2947 0.3701
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0037 0.0048
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0037 0.0146
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0251 0.2947 0.2947
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0037 0.0048
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0055 0.0055
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0795 0.0986
Echinococcus multilocularis L lactate dehydrogenase 0.0395 0.4687 0.4687
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0251 0.2947 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0251 0.2947 1
Echinococcus granulosus L lactate dehydrogenase 0.0395 0.4687 0.4687
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0251 0.2947 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Brugia malayi lactate dehydrogenase. 0.0646 0.7726 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0055 0.0055
Chlamydia trachomatis malate dehydrogenase 0.0251 0.2947 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0138 0.0132
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0055 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0055 0.0071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0055 0.0055
Toxoplasma gondii lactate dehydrogenase LDH1 0.0646 0.7726 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0055 0.0055
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0138 0.0138
Loa Loa (eye worm) malate dehydrogenase 0.0251 0.2947 0.3814
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Brugia malayi hypothetical protein 0.0011 0.0037 0.0048
Trypanosoma brucei glycosomal malate dehydrogenase 0.0251 0.2947 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0055 0.0055
Brugia malayi nuclear receptor NHR-88 0.0012 0.0055 0.0071
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0037 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0055 0.0071
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0138 0.0132
Brugia malayi DIX domain containing protein 0.0011 0.0037 0.0048
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0055 0.0071
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0055 0.0055
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0138 0.0179
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0138 0.047
Onchocerca volvulus 0.0012 0.0055 0.0217
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0251 0.2947 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0138 0.0138
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0251 0.2947 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Onchocerca volvulus 0.0011 0.0037 0.0146
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Schistosoma mansoni dishevelled 0.0011 0.0037 0.0037
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0251 0.2947 0.3814
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Plasmodium falciparum malate dehydrogenase 0.0646 0.7726 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0251 0.2947 0.3814
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0055 0.0055
Echinococcus granulosus cytosolic malate dehydrogenase 0.0251 0.2947 0.2947
Schistosoma mansoni L-lactate dehydrogenase 0.0646 0.7726 0.7726
Schistosoma mansoni L-lactate dehydrogenase 0.0251 0.2947 0.2947
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0251 0.2947 1
Leishmania major malate dehydrogenase 0.0251 0.2947 0.3701
Trypanosoma cruzi malate dehydrogenase, putative 0.0251 0.2947 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0055 0.0055
Brugia malayi N-terminal motif family protein 0.0218 0.2548 0.3298
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0055 0.0055
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0055 0.0055
Echinococcus multilocularis lactate dehydrogenase a 0.0646 0.7726 0.7726
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0055 0.0055
Mycobacterium ulcerans malate dehydrogenase 0.0251 0.2947 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0251 0.2947 0.2947
Loa Loa (eye worm) hypothetical protein 0.0646 0.7726 1
Trypanosoma brucei malate dehydrogenase-related 0.0251 0.2947 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0055 0.0055
Trichomonas vaginalis malate dehydrogenase, putative 0.0122 0.1388 0.4711
Brugia malayi hypothetical protein 0.0011 0.0037 0.0048
Plasmodium falciparum lactate dehydrogenase, putative 0.0251 0.2947 0.3701
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0795 0.0795
Trypanosoma cruzi malate dehydrogenase, putative 0.0251 0.2947 1
Echinococcus multilocularis lactate dehydrogenase a 0.0646 0.7726 0.7726
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0251 0.2947 1
Echinococcus granulosus malate dehydrogenase 0.0251 0.2947 0.2947
Brugia malayi ecdysteroid receptor 0.0012 0.0055 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0055 0.0071
Schistosoma mansoni hypothetical protein 0.0205 0.2386 0.2386
Echinococcus multilocularis geminin 0.0205 0.2386 0.2386
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0138 0.0138
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0055 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Trichomonas vaginalis malate dehydrogenase, putative 0.0251 0.2947 1
Leishmania major malate dehydrogenase, putative 0.0251 0.2947 0.3701
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0055 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0055 0.0071
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0071
Brugia malayi steroid hormone receptor 0.0012 0.0055 0.0071
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0795 0.0795
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0795 0.0795
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0037 0.0037
Schistosoma mansoni dep domain containing protein 0.0011 0.0037 0.0037
Echinococcus granulosus lactate dehydrogenase a 0.0646 0.7726 0.7726
Trypanosoma brucei cytosolic malate dehydrogenase 0.0251 0.2947 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0055 0.0055
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0055 0.0055
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0037 0.0048
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0205 0.2386 0.2386
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0795 0.234
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0055 0.0071
Brugia malayi nuclear hormone receptor 0.0012 0.0055 0.0071
Schistosoma mansoni malate dehydrogenase 0.0251 0.2947 0.2947
Echinococcus granulosus lactate dehydrogenase protein 0.0646 0.7726 0.7726
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0037 0.0037
Schistosoma mansoni malate dehydrogenase 0.0251 0.2947 0.2947
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0055 0.0071
Echinococcus granulosus malate dehydrogenase 0.0251 0.2947 0.2947
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0646 0.7726 0.7726
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0251 0.2947 1
Giardia lamblia Malate dehydrogenase 0.0251 0.2947 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0037 0.0037

Activities

Activity type Activity value Assay description Source Reference
AbsAC40_uM (functional) = 11.46 uM PUBCHEM_BIOASSAY: Sustained Induction of HSF-1 Measured in Cell-Based System Using Plate Reader - 2038-07_Activator_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) = 70.23 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (functional) 0.1032 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) 0.8199 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) 2.8184 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 13.0918 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 15.8489 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) 19.9526 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 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 (binding) = 31.6228 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) 31.6228 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) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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