Detailed information for compound 1594313

Basic information

Technical information
  • TDR Targets ID: 1594313
  • Name: N-[[4-(phenylmethoxy)phenyl]methylideneamino] thiophene-2-carboxamide
  • MW: 336.408 | Formula: C19H16N2O2S
  • H donors: 1 H acceptors: 1 LogP: 4.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)N/N=C/c1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C19H16N2O2S/c22-19(18-7-4-12-24-18)21-20-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+
  • InChiKey: FFVGRIFNASHCKX-DEDYPNTBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[4-(phenylmethoxy)phenyl]methyleneamino]thiophene-2-carboxamide
  • N-[[4-(phenylmethoxy)phenyl]methyleneamino]-2-thiophenecarboxamide
  • N-[[4-(benzyloxy)benzylidene]amino]thiophene-2-carboxamide
  • MLS000556991
  • SMR000148108
  • Thiophene-2-carboxylic acid [1-(4-benzyloxy-phenyl)-meth-(E)-ylidene]-hydrazide
  • ST5056920

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Bromodomain containing 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
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0014 0.0016 0.0093
Echinococcus granulosus microtubule associated protein 2 0.0833 0.849 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0014 0.0016 0.0093
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0366
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.008 0.0064
Brugia malayi PHD-finger family protein 0.0036 0.0243 0.1421
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4978 0.497
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0601 0.0587
Brugia malayi Bromodomain containing protein 0.0097 0.0869 0.5087
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0017
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0063 0.0044
Brugia malayi hypothetical protein 0.0148 0.1397 0.8185
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0014 0.0016 0.0093
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0601 0.0691
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0063 0.0047
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0063 0.0055
Schistosoma mansoni hypothetical protein 0.0049 0.0375 0.0424
Loa Loa (eye worm) hypothetical protein 0.0053 0.042 0.2389
Echinococcus granulosus GPCR family 2 0.0016 0.003 0.0017
Brugia malayi G-protein coupled receptor 0.0014 0.0016 0.0093
Loa Loa (eye worm) acetyltransferase 0.0178 0.1707 1
Brugia malayi Serotonin receptor 0.0014 0.0016 0.0093
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0169 0.018
Brugia malayi Tachykinin-like peptides receptor 99D 0.0014 0.0016 0.0093
Brugia malayi hypothetical protein 0.0036 0.024 0.1405
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.0429 0.6564
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0063 0.0276
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0601 0.0587
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0017
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1097 0.9513
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.003 0.0014
Loa Loa (eye worm) hypothetical protein 0.0148 0.1397 0.8168
Brugia malayi sulfakinin receptor protein 0.0014 0.0016 0.0093
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.849 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1397 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0087 0.0072
Echinococcus granulosus geminin 0.017 0.1625 0.1899
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0178 0.1707 0.1694
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0276
Toxoplasma gondii histone lysine methyltransferase SET1 0.0073 0.062 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0087 0.0085
Echinococcus multilocularis geminin 0.017 0.1625 0.1612
Echinococcus granulosus lysine specific demethylase 5A 0.0075 0.0646 0.0743
Schistosoma mansoni cpg binding protein 0.0039 0.027 0.03
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0078 0.0677 0.0663
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0601 0.0691
Schistosoma mansoni cpg binding protein 0.0035 0.0225 0.0247
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0087 0.0085
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.003 0.0017
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0023 0.0107 0.0107
Echinococcus granulosus cpg binding protein 0.0039 0.027 0.03
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0063 0.0055
Onchocerca volvulus Huntingtin homolog 0.0148 0.1397 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0355 0.5
Schistosoma mansoni hypothetical protein 0.017 0.1625 0.1899
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0276
Schistosoma mansoni zinc finger protein 0.003 0.0176 0.0189
Loa Loa (eye worm) hypothetical protein 0.0051 0.0394 0.2239
Brugia malayi putative neuropeptide receptor NPR1 0.0014 0.0016 0.0093
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0355 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0394 0.2239
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD2 0.0344 0.3422 1
Schistosoma mansoni hypothetical protein 0.0018 0.0058 0.0049
Brugia malayi Bromodomain containing protein 0.0051 0.0389 0.2281
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi larval opioid receptor 0.0014 0.0016 0.0093
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1627 0.1901
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.003 0.0014
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.003 0.0177
Schistosoma mansoni hypothetical protein 0.0049 0.0375 0.0424
Schistosoma mansoni hypothetical protein 0.0034 0.022 0.0241
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.003 0.0017
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1116 0.1298
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0087 0.0085
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi Dopamine receptor protein 1 0.0014 0.0016 0.0093
Brugia malayi neuropeptide F receptor 0.0014 0.0016 0.0093
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1625 0.1899
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0476 0.2721
Loa Loa (eye worm) hypothetical protein 0.0034 0.022 0.1208
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0017
Mycobacterium tuberculosis Possible L-lactate dehydrogenase (cytochrome) LldD2 0.0344 0.3422 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.0429 0.6564
Schistosoma mansoni jumonji/arid domain-containing protein 0.0075 0.0646 0.0743
Brugia malayi GnHR receptor homolog 0.0014 0.0016 0.0093
Loa Loa (eye worm) hypothetical protein 0.0016 0.003 0.0085
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0063 0.0055
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.024 0.0264
Echinococcus multilocularis protein patched 0.0051 0.0394 0.0379
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0014 0.0016 0.0093
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.0429 1
Brugia malayi Dopamine receptor protein 2 0.0014 0.0016 0.0093
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0063 0.0055
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0063 0.0055
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.0429 0.0487
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4978 0.5855
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1097 0.1083
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0316 0.03
Brugia malayi neuropeptide F receptor 0.0014 0.0016 0.0093
Schistosoma mansoni hypothetical protein 0.0025 0.0124 0.0128
Schistosoma mansoni hypothetical protein 0.0016 0.003 0.0017
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0063 0.0047
Schistosoma mansoni jumonji/arid domain-containing protein 0.0075 0.0646 0.0743
Schistosoma mansoni hypothetical protein 0.017 0.1625 0.1899
Brugia malayi jmjC domain containing protein 0.0075 0.0646 0.3783
Brugia malayi jmjC domain containing protein 0.0071 0.0601 0.3523
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.003 0.0085
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0014 0.0016 0.0093
Onchocerca volvulus 0.0035 0.0225 0.1517
Loa Loa (eye worm) hypothetical protein 0.0148 0.1397 0.8168
Schistosoma mansoni patched 1 0.0051 0.0394 0.0447
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Echinococcus granulosus expressed conserved protein 0.0112 0.1022 0.1188
Schistosoma mansoni hypothetical protein 0.0494 0.4978 0.5855
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.008 0.0075
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0063 0.0276
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.0429 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0384 0.2248
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.024 0.0224
Schistosoma mansoni hypothetical protein 0.0049 0.0375 0.0424
Loa Loa (eye worm) hypothetical protein 0.0062 0.0513 0.2941
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0014 0.0016 0.0093
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0384 0.2248
Brugia malayi acetyltransferase, GNAT family protein 0.0178 0.1707 1
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0394 0.0447
Loa Loa (eye worm) hypothetical protein 0.005 0.0384 0.2176
Brugia malayi Cytochrome P450 family protein 0.0059 0.0476 0.2788
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0169 0.018
Brugia malayi CXXC zinc finger family protein 0.0035 0.0225 0.132
Brugia malayi putative neuropeptide receptor 0.0014 0.0016 0.0093
Entamoeba histolytica isopentenyl-diphosphate delta-isomerase, putative 0.0123 0.1141 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0394 0.0379
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0063 0.0047
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0078 0.0677 0.0781
Brugia malayi Latrophilin receptor protein 2 0.0016 0.003 0.0177
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0063 0.0047
Leishmania major hypothetical protein, conserved 0.0019 0.0063 0.0044
Brugia malayi Dopamine receptor 0.0014 0.0016 0.0093
Echinococcus multilocularis expressed conserved protein 0.0112 0.1022 0.1008
Loa Loa (eye worm) bromodomain containing protein 0.0026 0.0132 0.0685
Mycobacterium leprae POSSIBLE L-LACTATE DEHYDROGENASE (CYTOCHROME) LLDD2 0.0344 0.3422 0.5
Schistosoma mansoni zinc finger protein 0.0018 0.0058 0.0049
Brugia malayi G protein-coupled receptor 0.0014 0.0016 0.0093
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0063 0.0055
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0394 0.0447
Loa Loa (eye worm) jmjC domain-containing protein 0.0075 0.0646 0.3724
Brugia malayi AKH receptor 0.0014 0.0016 0.0093
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0063 0.0276
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0063 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0464 0.2651
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0063 0.0055
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi RE15519p 0.0014 0.0016 0.0093
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1625 0.1612
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0225 0.1239
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0366
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0366
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.022 0.129
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1097 0.6424
Schistosoma mansoni bromodomain containing protein 0.0083 0.0722 0.0834
Schistosoma mansoni cpg binding protein 0.0039 0.027 0.03
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.024 0.0264
Echinococcus multilocularis protein dispatched 1 0.0058 0.0469 0.0454
Loa Loa (eye worm) hypothetical protein 0.0021 0.0087 0.0424
Brugia malayi Melatonin receptor type 1A 0.0014 0.0016 0.0093
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi follicle stimulating hormone receptor 0.0014 0.0016 0.0093
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0063 1
Schistosoma mansoni hypothetical protein 0.0049 0.0375 0.0424
Brugia malayi jmjC domain containing protein 0.0019 0.0063 0.0366
Loa Loa (eye worm) hypothetical protein 0.0119 0.1097 0.6391
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0355 0.1275
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.008 0.0075
Echinococcus granulosus phd:f box containing protein 0.0019 0.0063 0.0055
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0384 0.2176
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Trypanosoma brucei isopentenyl-diphosphate delta-isomerase (type II) 0.0123 0.1141 1
Treponema pallidum hypothetical protein 0.0344 0.3422 0.5
Echinococcus multilocularis cpg binding protein 0.0039 0.027 0.0254
Brugia malayi Serotonin receptor 0.0014 0.0016 0.0093
Brugia malayi G-protein coupled receptor 0.0014 0.0016 0.0093
Leishmania major isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative 0.0123 0.1141 1
Brugia malayi CHE-14 protein 0.0051 0.0394 0.2311
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0178 0.1707 0.1996
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.849 0.8488
Loa Loa (eye worm) hypothetical protein 0.0085 0.075 0.4342
Loa Loa (eye worm) hypothetical protein 0.0046 0.0346 0.1952
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0063 0.0055
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0023 0.0107 0.0091
Echinococcus granulosus zinc finger protein 0.003 0.0176 0.0189
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0316 0.0354
Schistosoma mansoni hypothetical protein 0.0036 0.024 0.0264
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0169 0.0153
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1097 0.1276
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0276
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.008 0.0075
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0628 0.0722
Brugia malayi hypothetical protein 0.0014 0.0016 0.0093
Brugia malayi ORL1-like opioid receptor 0.0014 0.0016 0.0093
Echinococcus multilocularis GPCR, family 2 0.0016 0.003 0.0014
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0124 0.0642
Echinococcus multilocularis zinc finger protein 0.003 0.0176 0.016

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.511886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 39.81071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
EC50 (functional) > 89.183 uM PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for biased ligands (agonists) of the melanocortin 4 receptor (MC4R). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0033 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.5858 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 (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 10 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) 10 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 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: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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