Detailed information for compound 1384187

Basic information

Technical information
  • TDR Targets ID: 1384187
  • Name: N-(3-methoxyphenyl)-2-[4-methyl-5-(2-oxo-2-ph enylethyl)sulfanyl-1,2,4-triazol-3-yl]acetami de
  • MW: 396.463 | Formula: C20H20N4O3S
  • H donors: 1 H acceptors: 4 LogP: 2.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)Cc1nnc(n1C)SCC(=O)c1ccccc1
  • InChi: 1S/C20H20N4O3S/c1-24-18(12-19(26)21-15-9-6-10-16(11-15)27-2)22-23-20(24)28-13-17(25)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,21,26)
  • InChiKey: YTPADNBBXOIFMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxyphenyl)-2-[4-methyl-5-(2-oxo-2-phenyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide
  • N-(3-methoxyphenyl)-2-[4-methyl-5-[(2-oxo-2-phenylethyl)thio]-1,2,4-triazol-3-yl]acetamide
  • 2-[5-[(2-keto-2-phenyl-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
  • N-(3-methoxyphenyl)-2-[4-methyl-5-(2-oxo-2-phenyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethanamide
  • MLS000051258
  • N-(3-methoxyphenyl)-2-{4-methyl-5-[(2-oxo-2-phenylethyl)thio]-4H-1,2,4-triazol-3-yl}acetamide
  • SMR000079260
  • ZINC01074941
  • STK235941

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0594 0.1668
Echinococcus granulosus dUTP pyrophosphatase 0.086 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.086 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0055 0.0031
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0236 0.0236
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.086 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0395 0.0395
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0043 0.0043
Brugia malayi mbt repeat family protein 0.0058 0.0406 0.0383
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0502 0.0502
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.2432 0.2432
Brugia malayi mbt repeat family protein 0.0058 0.0406 0.0383
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.2432 0.2432
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0055 0.0031
Entamoeba histolytica hypothetical protein 0.0561 0.643 0.6421
Entamoeba histolytica hypothetical protein 0.0028 0.0055 0.0031
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0134 0.011
Leishmania major importin beta-1 subunit, putative 0.0028 0.0055 0.0547
Onchocerca volvulus 0.01 0.0918 0.2574
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0055 0.0547
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0406 0.0406
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.4163 0.4154
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0594 0.0572
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0502 0.0502
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0594 0.0594
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0134 0.0134
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3138 0.3122
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0055 0.284
Loa Loa (eye worm) hypothetical protein 0.0035 0.0134 0.0119
Loa Loa (eye worm) MBCTL1 0.0066 0.0502 0.0487
Echinococcus multilocularis dUTP pyrophosphatase 0.086 1 1
Schistosoma mansoni hypothetical protein 0.035 0.3905 0.3905
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0594 0.0594
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.086 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0148 0.0125
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0406 0.0406
Schistosoma mansoni hypothetical protein 0.0372 0.4163 0.4163
Loa Loa (eye worm) hypothetical protein 0.0066 0.0502 0.0487
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0378 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0378 0.0378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0378 0.0378
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0299 0.3287 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0024 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0055 0.0031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0378 0.0378
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.086 1 1
Brugia malayi Bromodomain containing protein 0.0091 0.08 0.0779
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0055 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0594 0.0594
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0024 0.0024
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0055 0.0031
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0299 0.3287 1
Wolbachia endosymbiont of Brugia malayi dUTPase 0.086 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0579 0.0579
Onchocerca volvulus 0.0058 0.0406 0.0862
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0918 0.0918
Brugia malayi PHD-finger family protein 0.003 0.0077 0.0053
Plasmodium falciparum importin beta, putative 0.0035 0.0134 0.011
Schistosoma mansoni ran 0.0026 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0049 0.0306 0.0291
Loa Loa (eye worm) hypothetical protein 0.0085 0.0739 0.0725
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0594 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0378 0.0378
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0299 0.3287 0.3271
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0406 0.0392
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0043 0.0043
Schistosoma mansoni ran 0.0026 0.0024 0.0024
Entamoeba histolytica hypothetical protein 0.086 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0378 0.0363
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0134 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0378 0.0378
Plasmodium vivax importin-beta 2, putative 0.0035 0.0134 0.011
Schistosoma mansoni hypothetical protein 0.0025 0.0015 0.0015
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0148 0.0148
Brugia malayi Pre-SET motif family protein 0.0036 0.0148 0.0125
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0024 0.0009
Loa Loa (eye worm) dUTP diphosphatase 0.086 1 1
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0299 0.3287 1
Echinococcus granulosus snurportin 1 0.0372 0.4163 0.4163
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0406 0.0406
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0299 0.3287 0.325
Entamoeba histolytica hypothetical protein 0.086 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0594 0.1668
Loa Loa (eye worm) hypothetical protein 0.0057 0.0395 0.038
Brugia malayi Pre-SET motif family protein 0.0251 0.2723 0.2706
Onchocerca volvulus 0.0286 0.3138 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0046 0.0271 0.0257
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0148 0.0148
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0395 0.0395
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0502 0.0502
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0055 0.0031
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.086 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0133 0.0133
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.086 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0148 0.0148
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0594 0.0594
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0024 0.0024
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.086 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.086 1 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0502 0.0479
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0406 0.0406
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0918 0.0918
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2723 0.2712
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0406 0.0862
Entamoeba histolytica hypothetical protein 0.0028 0.0055 0.0031
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0502 0.0502
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.086 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0378 0.0378
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0395 0.0395
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0148 0.0125
Brugia malayi Bromodomain containing protein 0.0046 0.027 0.0247
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0395 0.0395
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0299 0.3287 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0918 0.0904
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0406 0.0406
Echinococcus granulosus importin subunit beta 1 0.0035 0.0134 0.0134
Entamoeba histolytica hypothetical protein 0.0299 0.3287 0.3271
Chlamydia trachomatis deoxycytidine triphosphate deaminase 0.0299 0.3287 0.325
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0918 0.0896
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0058 0.0406 0.0392
Schistosoma mansoni bromodomain containing protein 0.0076 0.0631 0.0631
Schistosoma mansoni importin beta-1 0.0035 0.0134 0.0134
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0502 0.0502
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0406 0.0406
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0333 0.0318
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0043 0.0043
Brugia malayi RNA, U transporter 1 0.0099 0.0902 0.088
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.086 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0299 0.3287 0.3271
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.086 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0236 0.0236
Entamoeba histolytica hypothetical protein 0.0561 0.643 0.6421
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.086 1 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0134 0.011
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0594 0.1668
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0594 0.1668
Echinococcus multilocularis snurportin 1 0.0372 0.4163 0.4163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0378 0.0378
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0055 0.0031
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0055 0.0031
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0134 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0406 0.0406

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 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) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 0.7097 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a: Hit Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1582 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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