Detailed information for compound 1216423

Basic information

Technical information
  • TDR Targets ID: 1216423
  • Name: 5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanyli dene-1H-pyridine-3-carboxamide
  • MW: 297.375 | Formula: C16H15N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1c(C(=O)Nc2ccccc2)c(C)nc(c1C#N)S
  • InChi: 1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
  • InChiKey: OSNSDJPSYZZTGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-cyano-4-ethyl-2-methyl-N-phenyl-6-thioxo-1H-pyridine-3-carboxamide
  • ZINC00289342
  • Oprea1_394552
  • 5-cyano-4-ethyl-2-methyl-N-phenyl-6-thioxo-1,6-dihydro-3-pyridinecarboxamide
  • MLS000532290
  • SMR000137229

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Neospora caninum hypothetical protein 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
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0022
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0539 0.0598
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0364 0.0364
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0586 0.065
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0986 0.1094
Loa Loa (eye worm) glutaminase 2 0.033 0.9011 1
Toxoplasma gondii hypothetical protein 0.0059 0.1255 0.6824
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0261 0.0289
Schistosoma mansoni hypothetical protein 0.0125 0.3142 0.3487
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0388 0.0431
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0022
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0431
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0364 0.0364
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0603 0.176
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0847 0.5
Brugia malayi hypothetical protein 0.0018 0.0083 0.0093
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.002 0.0058
Brugia malayi Pre-SET motif family protein 0.0251 0.6758 0.75
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0586 0.065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0847 0.094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0586 0.065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.04 0.0444
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0986 0.1094
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1669 0.1852
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.002 0.0022
Brugia malayi jmjC domain containing protein 0.0115 0.2869 0.3184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0261 0.0289
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.3142 0.9164
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.3428 1
Onchocerca volvulus 0.0286 0.7751 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0847 0.094
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1039 0.1039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4508 0.4508
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1152 0.1278
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1152 0.1278
Plasmodium vivax SET domain protein, putative 0.0036 0.0603 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1039 0.1039
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0579 0.8994
Schistosoma mansoni hypothetical protein 0.0034 0.0539 0.0598
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.002 0.0022
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0579 0.1844
Schistosoma mansoni lamin 0.0029 0.0388 0.0431
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0603 0.067
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.3142 1
Schistosoma mansoni thyroid hormone receptor 0.0135 0.3428 0.3805
Brugia malayi Pre-SET motif family protein 0.0036 0.0603 0.067
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0388 0.0431
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0847 0.0847
Brugia malayi PHD-finger family protein 0.0035 0.0579 0.0643
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0603 0.176
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0847 0.0847
Loa Loa (eye worm) glutaminase 0.033 0.9011 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0334 0.0371
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0847 0.0847
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.026 0.0288
Mycobacterium ulcerans hypothetical protein 0.0192 0.5065 0.4626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0261 0.0289
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.066 0.0733
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0579 0.169
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0326 0.0362
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1669 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.002 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Brugia malayi Latrophilin receptor protein 2 0.0016 0.002 0.0022
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0022
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4508 0.4508
Loa Loa (eye worm) hypothetical protein 0.0049 0.0986 0.1094
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0587 0.0587
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0102 0.0102
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7751 0.8602
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0847 0.094
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1152 0.1278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.026 0.0288
Echinococcus granulosus intermediate filament protein 0.0029 0.0388 0.1236
Brugia malayi Bromodomain containing protein 0.0035 0.0579 0.0643
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0847 0.094
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0847 0.5
Brugia malayi hypothetical protein 0.0028 0.0364 0.0404
Loa Loa (eye worm) hypothetical protein 0.0028 0.0364 0.0404
Giardia lamblia GTOR 0.0045 0.0847 1
Brugia malayi glutaminase DH11.1 0.033 0.9011 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1669 0.1669
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0603 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0586 0.065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0261 0.0289
Schistosoma mansoni intermediate filament proteins 0.0029 0.0388 0.0431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1152 0.1278
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4508 0.4508
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1152 0.336
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0974 0.284
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0022
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.001 0.0011
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0579 0.0643
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2869 0.9133
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0847 0.0847
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.002 0.0058
Loa Loa (eye worm) hypothetical protein 0.006 0.1298 0.1441
Trichomonas vaginalis glutaminase, putative 0.033 0.9011 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0539 0.0598
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0388 0.0431
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0847 0.2695
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0791 0.0878
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0603 0.1835
Plasmodium falciparum phd finger protein, putative 0.0035 0.0579 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0974 0.3099
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0791 0.0878
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5065 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0847 0.0847
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0791 0.0878
Loa Loa (eye worm) hypothetical protein 0.0035 0.0579 0.0643
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0986 0.1094
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0579 0.165
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.002 0.0063
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1669 0.1852
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0847 0.0847
Echinococcus granulosus lamin 0.0029 0.0388 0.1236
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1152 0.3667
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0175 0.0175
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0427 0.0474
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0334 0.0371
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.136 0.136
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0579 0.165
Schistosoma mansoni glutaminase 0.033 0.9011 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0326 0.0362
Leishmania major hypothetical protein, conserved 0.0028 0.0364 0.0364
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0847 0.094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1152 0.336
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.052 0.1199
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0364 0.0364
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0847 0.094
Echinococcus multilocularis lamin dm0 0.0029 0.0388 0.1133
Loa Loa (eye worm) hypothetical protein 0.0016 0.002 0.0022
Schistosoma mansoni thyroid hormone receptor 0.0135 0.3428 0.3805
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0587 0.0587
Echinococcus multilocularis lamin 0.0029 0.0388 0.1133
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1669 0.4869
Schistosoma mansoni hypothetical protein 0.0035 0.0579 0.0643
Echinococcus multilocularis musashi 0.0029 0.0388 0.1133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1152 0.1278
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0603 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0586 0.065
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0847 0.247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.001 0.0011
Echinococcus granulosus GPCR family 2 0.0016 0.002 0.0063
Loa Loa (eye worm) hypothetical protein 0.0028 0.0373 0.0414
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0791 0.2307
Schistosoma mansoni lamin 0.0029 0.0388 0.0431
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1669 0.5313
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0603 0.192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Echinococcus granulosus lamin dm0 0.0029 0.0388 0.1236
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0791 0.2518
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0603 0.067
Mycobacterium ulcerans glutaminase 0.033 0.9011 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2869 0.837
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2192 0.2432
Brugia malayi jmjC domain containing protein 0.0043 0.0791 0.0878
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6758 0.75
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1152 0.3667
Loa Loa (eye worm) hypothetical protein 0.0036 0.0603 0.067
Onchocerca volvulus 0.0036 0.0603 0.0292
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0565 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0334 0.0371
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0587 0.0587
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0579 0.0643
Onchocerca volvulus Alhambra homolog 0.0035 0.0579 0.0259
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1651 0.1832
Brugia malayi intermediate filament protein 0.0029 0.0388 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.052 0.0577
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1039 0.1039
Echinococcus multilocularis GPCR, family 2 0.0016 0.002 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.026 0.0288
Echinococcus granulosus peregrin 0.0035 0.0579 0.1844
Echinococcus multilocularis peregrin 0.0035 0.0579 0.169

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 33.4 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.5481 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) = 19.9526 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) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 47.7548 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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