Detailed information for compound 1453717

Basic information

Technical information
  • TDR Targets ID: 1453717
  • Name: 3-phenyl-N-(4-phenylbutan-2-yl)prop-2-enamide
  • MW: 279.376 | Formula: C19H21NO
  • H donors: 1 H acceptors: 1 LogP: 4.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)/C=C/c1ccccc1)CCc1ccccc1
  • InChi: 1S/C19H21NO/c1-16(12-13-17-8-4-2-5-9-17)20-19(21)15-14-18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,20,21)/b15-14+
  • InChiKey: AFUKHYIYQMQJHN-CCEZHUSRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-phenyl-N-(4-phenylbutan-2-yl)prop-2-enamide
  • N-(1-methyl-3-phenyl-propyl)-3-phenyl-prop-2-enamide
  • (E)-N-(1-methyl-3-phenyl-propyl)-3-phenyl-prop-2-enamide
  • (E)-N-(1-methyl-3-phenylpropyl)-3-phenylprop-2-enamide
  • N-(1-methyl-3-phenylpropyl)-3-phenylprop-2-enamide
  • (E)-N-(1-methyl-3-phenyl-propyl)-3-phenyl-acrylamide
  • N-(1-methyl-3-phenyl-propyl)-3-phenyl-acrylamide
  • SMR000195310
  • MLS000573001
  • N-(1-methyl-3-phenylpropyl)-3-phenylacrylamide

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 aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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 mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
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 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans L-lysine aminotransferase 0.0222 0.128 0.1201
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0234 1
Brugia malayi Bromodomain containing protein 0.0091 0.0423 0.0432
Schistosoma mansoni hypothetical protein 0.0041 0.0102 0.0796
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0222 0.128 0.1
Entamoeba histolytica aminopeptidase, putative 0.0039 0.009 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.0135 0.0125
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.009 0.0702
Brugia malayi Peptidase family M1 containing protein 0.0039 0.009 0.0077
Echinococcus multilocularis ornithine aminotransferase 0.0222 0.128 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.039 0.0414
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1564 1 1
Echinococcus multilocularis Aminotransferase class III 0.0222 0.128 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0234 0.6535
Brugia malayi Pax transcription factor protein 2 0.1472 0.9399 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0311 0.2431
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0311 1
Schistosoma mansoni paired box protein pax-6 0.0028 0.0018 0.0138
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.009 0.0618
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0011 0.0089
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0303 0.23
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0116 0.0829
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0311 0.2431
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0226 0.0222
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0222 0.128 0.1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0311 0.0733
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0234 0.0146
Loa Loa (eye worm) paired box protein 0.0028 0.0018 0.0019
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1564 1 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0222 0.128 0.1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.009 0.0702
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0226 0.0222
Mycobacterium ulcerans hypothetical protein 0.1564 1 1
Onchocerca volvulus 0.1472 0.9399 1
Echinococcus multilocularis paired box protein pax 1 0.0028 0.0018 0.0138
Loa Loa (eye worm) hypothetical protein 0.0028 0.0018 0.0019
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0222 0.128 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0226 0.024
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0234 0.0146
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0039 0.009 0.0702
Echinococcus granulosus paired box protein pax 1 0.0028 0.0018 0.0049
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.009 0.0702
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0234 1
Plasmodium vivax ornithine aminotransferase, putative 0.0222 0.128 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0311 0.0223
Loa Loa (eye worm) vab-3 0.0028 0.0018 0.0019
Brugia malayi MAP kinase sur-1 0.0062 0.0234 0.0231
Echinococcus granulosus ornithine aminotransferase 0.0222 0.128 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0116 0.091
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0303 0.2368
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0311 0.0223
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0234 0.1758
Loa Loa (eye worm) hypothetical protein 0.0046 0.0136 0.0144
Echinococcus granulosus paired box gene 3/7 (eyeless, eyegone, twin of eyeless) 0.0028 0.0018 0.0049
Onchocerca volvulus 0.0039 0.009 0.0077
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0234 0.1832
Echinococcus granulosus aminopeptidase N 0.0039 0.009 0.0618
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0226 0.024
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1564 1 1
Brugia malayi Cytochrome P450 family protein 0.0059 0.0217 0.0213
Onchocerca volvulus 0.0039 0.009 0.0077
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.009 0.0618
Schistosoma mansoni paired box protein pax-1-related 0.0028 0.0018 0.0138
Loa Loa (eye worm) hypothetical protein 0.0052 0.0169 0.018
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0222 0.128 0.1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.009 0.0702
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0222 0.128 0.1201
Mycobacterium ulcerans acetylornithine aminotransferase 0.0222 0.128 0.1201
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.009 0.0618
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0222 0.128 1
Echinococcus multilocularis aminopeptidase N 0.0039 0.009 0.0702
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0102 0.009
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0039 0.009 0.0702
Echinococcus granulosus paired box protein pax 6 0.0028 0.0018 0.0049
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0234 0.0249
Echinococcus multilocularis ornithine aminotransferase 0.0222 0.128 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0039 0.009 0.3831
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0234 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0222 0.128 0.1201
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0311 0.0223
Loa Loa (eye worm) pax transcription factor protein 2 0.1472 0.9399 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0234 0.0146
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0311 0.2431
Loa Loa (eye worm) hypothetical protein 0.0041 0.0102 0.0108
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0234 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0234 0.1758
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0234 0.6535
Trypanosoma brucei protein kinase, putative 0.0062 0.0234 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0222 0.128 0.1201
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0311 0.2363
Mycobacterium tuberculosis Probable aminotransferase 0.1564 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0217 0.0231
Loa Loa (eye worm) hypothetical protein 0.0049 0.0154 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0234 0.0146
Schistosoma mansoni paired box protein pax-6 0.0028 0.0018 0.0138
Brugia malayi hypothetical protein 0.0039 0.009 0.0077
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.009 0.0702
Brugia malayi PHD-finger family protein 0.003 0.003 0.0013
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0234 0.1832
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0039 0.009 0.0702
Schistosoma mansoni bromodomain containing protein 0.0076 0.0331 0.2588
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0222 0.128 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0018 0.0019
Echinococcus multilocularis paired box protein pax 6 0.0028 0.0018 0.0138
Echinococcus granulosus Aminotransferase class III 0.0222 0.128 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0222 0.128 0.1345
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0234 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.009 0.3831
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0011 0.0089
Schistosoma mansoni paired box protein pax-6 0.0028 0.0018 0.0138
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.009 0.0618
Loa Loa (eye worm) aminopeptidase N 0.0039 0.009 0.0096
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0222 0.128 0.5
Brugia malayi Peptidase family M1 containing protein 0.0039 0.009 0.0077
Echinococcus multilocularis paired box protein pax 6 0.0028 0.0018 0.0138
Echinococcus multilocularis paired box protein pax 6 0.0028 0.0018 0.0138
Loa Loa (eye worm) hypothetical protein 0.0028 0.0018 0.0019
Loa Loa (eye worm) hypothetical protein 0.0028 0.0018 0.0019
Plasmodium falciparum ornithine aminotransferase 0.0222 0.128 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.009 0.3831
Echinococcus granulosus paired box protein pax 6 0.0028 0.0018 0.0049
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0222 0.128 0.1201
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0234 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0234 0.1832

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) = 7.079457844 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) = 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) = 12.58925412 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) = 25.11886432 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
Potency (functional) 0.5221 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) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 11.2202 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 31.6228 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) 32.6427 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 50.1187 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) 56.2341 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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