Detailed information for compound 1329096

Basic information

Technical information
  • TDR Targets ID: 1329096
  • Name: N-[bis(phenylmethyl)carbamothioyl]-4-ethoxybe nzamide
  • MW: 404.525 | Formula: C24H24N2O2S
  • H donors: 1 H acceptors: 1 LogP: 4.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C24H24N2O2S/c1-2-28-22-15-13-21(14-16-22)23(27)25-24(29)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3,(H,25,27,29)
  • InChiKey: CKIOPKFICBOUGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[bis(phenylmethyl)carbamothioyl]-4-ethoxy-benzamide
  • N-[(bis(phenylmethyl)amino)-thioxomethyl]-4-ethoxybenzamide
  • N-[bis(benzyl)thiocarbamoyl]-4-ethoxy-benzamide
  • ZINC01049935
  • MLS000581928
  • N-[(dibenzylamino)carbonothioyl]-4-ethoxybenzamide
  • SMR000200536

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
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_126554 All targets in OG5_126554
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), 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
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
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
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
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei isocitrate dehydrogenase, 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
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
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
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi 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
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi 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
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
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 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus transcription factor btf3 0.0042 0.019 0.0326
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4897 0.8394
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4897 0.8394
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.019 0.4244
Loa Loa (eye worm) hypothetical protein 0.0148 0.1154 0.1154
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1875 0.3214
Brugia malayi mbt repeat family protein 0.0058 0.0331 0.033
Mycobacterium leprae Conserved hypothetical protein 0.0021 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0575 0.5049 0.5049
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.042 0.042
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0331 0.0714
Echinococcus multilocularis isocitrate dehydrogenase 0.0065 0.0396 0.0678
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0039 0.0978
Echinococcus multilocularis tar DNA binding protein 0.0661 0.5834 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0275 0.0275
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.019 0.4807
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0266 0.2233 0.3827
Echinococcus multilocularis mothers against decapentaplegic 5 0.0076 0.05 0.0857
Schistosoma mansoni smad 0.0076 0.05 0.0857
Brugia malayi Cytochrome P450 family protein 0.0032 0.0097 0.0096
Brugia malayi MH2 domain containing protein 0.0076 0.05 0.05
Loa Loa (eye worm) TAR-binding protein 0.0661 0.5834 0.5834
Onchocerca volvulus Huntingtin homolog 0.0148 0.1154 0.3454
Schistosoma mansoni hypothetical protein 0.0575 0.5049 0.8655
Loa Loa (eye worm) RNA binding protein 0.0661 0.5834 0.5834
Echinococcus multilocularis smad 0.0076 0.05 0.0857
Loa Loa (eye worm) MH2 domain-containing protein 0.1118 1 1
Echinococcus granulosus zinc finger protein 0.0024 0.0021 0.0036
Echinococcus multilocularis zinc finger protein 0.0024 0.0021 0.0036
Echinococcus multilocularis geminin 0.0205 0.1671 0.2864
Loa Loa (eye worm) hypothetical protein 0.0066 0.0403 0.0403
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0201 0.0344
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.019 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.1671 0.2864
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0202 0.0345
Echinococcus granulosus smad 0.0076 0.05 0.0857
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0097 0.2439
Schistosoma mansoni hypothetical protein 0.0043 0.0202 0.0345
Schistosoma mansoni hypothetical protein 0.0025 0.0033 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0661 0.5834 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0065 0.0396 0.0678
Leishmania major cytochrome p450-like protein 0.0032 0.0097 0.2439
Loa Loa (eye worm) hypothetical protein 0.0046 0.0228 0.0228
Schistosoma mansoni transcription factor btf3 0.0042 0.019 0.0326
Brugia malayi RNA binding protein 0.0661 0.5834 0.5833
Loa Loa (eye worm) MBCTL1 0.0066 0.0403 0.0403
Echinococcus multilocularis Smad4 0.0076 0.05 0.0857
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0331 0.0566
Echinococcus multilocularis mothers against decapentaplegic 6 0.0034 0.0116 0.0198
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0065 0.0396 1
Entamoeba histolytica hypothetical protein 0.0043 0.0202 1
Brugia malayi Bromodomain containing protein 0.0046 0.0227 0.0227
Brugia malayi MH1 domain containing protein 0.0076 0.05 0.05
Brugia malayi isocitrate dehydrogenase 0.0065 0.0396 0.0396
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0331 0.0566
Brugia malayi beta-NAC-like protein 0.0042 0.019 0.019
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.05 0.05
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0403 0.0691
Echinococcus granulosus mothers against decapentaplegic 6 0.0034 0.0116 0.0198
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0266 0.2233 0.2233
Entamoeba histolytica hypothetical protein 0.0043 0.0202 1
Brugia malayi MH2 domain containing protein 0.0076 0.05 0.05
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0065 0.0396 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0266 0.2233 0.3827
Leishmania major basic transcription factor 3a, putative 0.0042 0.019 0.4807
Loa Loa (eye worm) isocitrate dehydrogenase 0.0065 0.0396 0.0396
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.0039
Onchocerca volvulus Huntingtin homolog 0.0148 0.1154 0.3454
Loa Loa (eye worm) hypothetical protein 0.0085 0.0584 0.0584
Loa Loa (eye worm) hypothetical protein 0.0034 0.0116 0.0116
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0065 0.0396 0.0678
Schistosoma mansoni Smad4 0.0076 0.05 0.0857
Brugia malayi Cytochrome P450 family protein 0.0067 0.042 0.042
Loa Loa (eye worm) latrophilin receptor protein 2 0.0266 0.2233 0.2233
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.05 0.05
Brugia malayi Isocitrate dehydrogenase 0.0065 0.0396 0.0396
Echinococcus granulosus GPCR family 2 0.0266 0.2233 0.3827
Echinococcus granulosus TGF beta signal transducer SmadC 0.0076 0.05 0.0857
Schistosoma mansoni tar DNA-binding protein 0.0661 0.5834 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0841 0.7476 0.7476
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1875 0.3214
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0403 0.0691
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0065 0.0396 1
Schistosoma mansoni tar DNA-binding protein 0.0661 0.5834 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0331 0.0331
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.019 0.4807
Echinococcus multilocularis transcription factor btf3 0.0042 0.019 0.0326
Schistosoma mansoni hypothetical protein 0.035 0.2998 0.5139
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0033 0.0033
Echinococcus granulosus geminin 0.0205 0.1671 0.2864
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0097 0.2439
Brugia malayi hypothetical protein 0.0043 0.0202 0.0201
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0097 0.0097
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0841 0.7476 0.7476
Schistosoma mansoni hypothetical protein 0.0266 0.2233 0.3827
Brugia malayi TAR-binding protein 0.0661 0.5834 0.5833
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0039 0.0978
Brugia malayi Latrophilin receptor protein 2 0.0266 0.2233 0.2232
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0331 0.0566
Brugia malayi MH1 domain containing protein 0.0042 0.019 0.0189
Schistosoma mansoni tar DNA-binding protein 0.0661 0.5834 1
Echinococcus multilocularis GPCR, family 2 0.0266 0.2233 0.3827
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0065 0.0396 1
Schistosoma mansoni zinc finger protein 0.0024 0.0021 0.0036
Brugia malayi Smad1 0.0076 0.05 0.05
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.0529
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0076 0.05 0.0857
Schistosoma mansoni smad1 5 8 and 0.0076 0.05 0.0857
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0463 0.0793
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0463 0.0793
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0364 0.3122 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0309 0.0529
Entamoeba histolytica hypothetical protein 0.0043 0.0202 1
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0331 0.0566
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.0529
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0266 0.2233 0.3827
Brugia malayi MH1 domain containing protein 0.0042 0.019 0.0189
Brugia malayi MH2 domain containing protein 0.0034 0.0116 0.0116
Echinococcus granulosus tar DNA binding protein 0.0661 0.5834 1
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.019 0.4244
Echinococcus granulosus mothers against decapentaplegic 2 0.0034 0.0116 0.0198
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0065 0.0396 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0065 0.0396 0.0678
Brugia malayi Bromodomain containing protein 0.0091 0.0631 0.0631
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0076 0.05 0.0857
Echinococcus multilocularis mothers against decapentaplegic 2 0.0034 0.0116 0.0198
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.019 0.4807
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0116 0.0116
Schistosoma mansoni bromodomain containing protein 0.0076 0.0502 0.086
Brugia malayi Calcitonin receptor-like protein seb-1 0.0841 0.7476 0.7476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0309 0.0529
Schistosoma mansoni Smad4 0.0034 0.0116 0.0198
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4897 0.8394
Loa Loa (eye worm) nuclear factor I 0.0042 0.019 0.019
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4897 0.8394
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0039 0.0978
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.019 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0065 0.0396 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0054 0.0092
Schistosoma mansoni smad1 5 8 and 0.0076 0.05 0.0857
Loa Loa (eye worm) hypothetical protein 0.0364 0.3122 0.3122
Schistosoma mansoni tar DNA-binding protein 0.0661 0.5834 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0661 0.5834 0.5834
Loa Loa (eye worm) hypothetical protein 0.0042 0.019 0.019
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0841 0.7476 0.7476
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0403 0.0691
Brugia malayi MH1 domain containing protein 0.0076 0.05 0.05
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0054 0.0092
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0202 0.0345
Loa Loa (eye worm) hypothetical protein 0.0148 0.1154 0.1154
Brugia malayi hypothetical protein 0.0026 0.0039 0.0039
Brugia malayi hypothetical protein 0.0148 0.1154 0.1154
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0065 0.0396 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0403 0.0691
Toxoplasma gondii isocitrate dehydrogenase 0.0065 0.0396 1
Toxoplasma gondii NAC domain-containing protein 0.0042 0.019 0.4807
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.019 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0202 0.0345
Brugia malayi PHD-finger family protein 0.003 0.008 0.0079
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0266 0.2233 0.3827
Onchocerca volvulus 0.0058 0.0331 0.0714
Toxoplasma gondii isocitrate dehydrogenase 0.0065 0.0396 1
Loa Loa (eye worm) ICD-1 protein 0.0042 0.019 0.019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0309 0.0529
Schistosoma mansoni hypothetical protein 0.0266 0.2233 0.3827
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0266 0.2233 0.3827
Schistosoma mansoni Smad4 0.0034 0.0116 0.0198
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0054 0.0092
Loa Loa (eye worm) hypothetical protein 0.0575 0.5049 0.5049
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0065 0.0396 0.0678
Schistosoma mansoni hypothetical protein 0.0205 0.1671 0.2864
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0097 0.2439
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0331 0.0566
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0309 0.0529
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0201 0.0344
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0065 0.0396 0.0678
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0331 0.0566
Leishmania major hypothetical protein, conserved 0.0026 0.0039 0.0978
Loa Loa (eye worm) transcription factor SMAD2 0.1118 1 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0331 0.0331
Brugia malayi RNA recognition motif domain containing protein 0.0661 0.5834 0.5833
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0266 0.2233 0.3827
Loa Loa (eye worm) Smad1 0.0076 0.05 0.05
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0403 0.0691
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0065 0.0396 0.0678
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0116 0.0116
Brugia malayi N-terminal motif family protein 0.0364 0.3122 0.3122
Brugia malayi Cytochrome P450 family protein 0.0032 0.0097 0.0096
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0331 0.0566
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0266 0.2233 0.2232
Brugia malayi mothers against decapentaplegic homolog 3 0.0034 0.0116 0.0116
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0065 0.0396 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0039 0.0978
Schistosoma mansoni smad 0.0034 0.0116 0.0198
Brugia malayi mbt repeat family protein 0.0058 0.0331 0.033
Entamoeba histolytica hypothetical protein 0.0043 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0254 0.0254
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0309 0.0529
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0309 0.0309
Mycobacterium leprae putative cytochrome p450 0.0021 0 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0076 0.05 0.0857
Echinococcus granulosus Smad4 0.0076 0.05 0.0857
Schistosoma mansoni smad1 5 8 and 0.0076 0.05 0.0857

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 3.981071706 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) = 6.309573445 uM 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) = 8.912509381 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) = 10 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) = 10 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) = 1.386 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.2202 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) 11.2202 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 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) 11.6891 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) = 12.5893 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 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) = 17.7828 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) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 29.0929 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) = 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 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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