Detailed information for compound 1196558

Basic information

Technical information
  • TDR Targets ID: 1196558
  • Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6,7,8-tetr ahydronaphthalene-1,3-dicarbonitrile
  • MW: 317.341 | Formula: C19H15N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.05 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(c2ccc3c(c2)OCO3)c2CCCCc2c(c1N)C#N
  • InChi: 1S/C19H15N3O2/c20-8-14-12-3-1-2-4-13(12)18(15(9-21)19(14)22)11-5-6-16-17(7-11)24-10-23-16/h5-7H,1-4,10,22H2
  • InChiKey: ZIYVMPVLRJZJRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-8-(1,3-benzodioxol-5-yl)tetralin-5,7-dicarbonitrile
  • SMR000111081
  • ZINC00029120
  • Oprea1_082614
  • MLS000106704
  • ST042184
  • Oprea1_675853

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0064 0.0015 0.0015
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0119 0.0104
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0015 0.0015
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0119 0.0448
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0015 0.0015
Brugia malayi hypothetical protein 0.0146 0.0898 0.0898
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0064 0.0015 0.0015
Echinococcus multilocularis serine protein kinase ATM 0.0188 0.1345 0.1345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.2906 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0537 0.509 0.5082
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0119 0.0119
Onchocerca volvulus 0.0074 0.0119 0.1325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0791 0.7816 0.7813
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5323 0.5323
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0064 0.0015 0.0015
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0119 0.0104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.2906 0.2895
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1439 0.1439
Schistosoma mansoni fkbp-rapamycin associated protein 0.0188 0.1345 0.1345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.029 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0188 0.1345 0.1332
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.1576 0.1563
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0145 0.0887 0.0887
Onchocerca volvulus 0.0064 0.0015 0.017
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0145 0.0887 0.0887
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0188 0.1345 0.1332
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0055 0.0055
Onchocerca volvulus 0.0074 0.0119 0.1325
Echinococcus multilocularis Zinc finger, PHD finger 0.0064 0.0015 0.0015
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0994 1 1
Entamoeba histolytica protein kinase rad3, putative 0.0188 0.1345 0.1332
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0119 0.0237
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0333 0.2906 0.2895
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0323 0.2798 0.2787
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0119 0.0119
Mycobacterium tuberculosis Conserved hypothetical protein 0.017 0.1155 0.2605
Brugia malayi beta-lactamase 0.0074 0.0119 0.0119
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0064 0.0015 0.0015
Leishmania major phosphatidylinositol 3-kinase, putative 0.0333 0.2906 0.2895
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0994 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0181 0.1274 0.1274
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0015 0.0015
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.007 0.0055
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0064 0.0015 0.0015
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0055 0.0055
Schistosoma mansoni alpha-glucosidase 0.0169 0.1145 0.1145
Onchocerca volvulus 0.0074 0.0119 0.1325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.029 0.029
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0119 0.0448
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0791 0.7825 0.7822
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0119 0.0104
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.007 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0119 0.0119
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0472 0.439 1
Brugia malayi FAT domain containing protein 0.0145 0.0887 0.0887
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0064 0.0015 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.029 0.029
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0536 0.5081 0.5074
Trypanosoma cruzi target of rapamycin kinase 3 0.0791 0.7825 0.7822
Mycobacterium ulcerans hypothetical protein 0.0074 0.0119 0.0448
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0333 0.2906 0.2895
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0413 0.376 0.375
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5704 0.5698
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0055 0.0055
Loa Loa (eye worm) phosphatidylinositol 3 0.0994 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0657 0.0642
Brugia malayi MH2 domain containing protein 0.0141 0.0839 0.0839
Onchocerca volvulus 0.0146 0.0898 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0994 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0055 0.0055
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0064 0.0015 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.029 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0791 0.7816 0.7813
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0119 0.0104
Brugia malayi TAR-binding protein 0.0068 0.0055 0.0055
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.007 0.007
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0064 0.0015 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.0969 0.0956
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.029 0.029
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0119 0.0104
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1439 0.1439
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0119 0.0237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0791 0.7816 0.7813
Echinococcus granulosus serine protein kinase ATM 0.0188 0.1345 0.1345
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0119 0.0119
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1439 0.1439
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0333 0.2906 0.2906
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0657 0.0642
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5323 0.5323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.219 0.2178
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0119 0.0104
Loa Loa (eye worm) beta-lactamase 0.0074 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0124 0.0657 0.0657
Trichomonas vaginalis PIKK family atypical protein kinase 0.0994 1 1
Mycobacterium tuberculosis Conserved protein 0.0074 0.0119 0.0237
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.029 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0791 0.7816 0.7813
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.029 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0537 0.509 0.5082
Loa Loa (eye worm) hypothetical protein 0.0146 0.0898 0.0898
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0064 0.0015 0.0015
Loa Loa (eye worm) phosphatidylinositol kinase 0.0064 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0064 0.0015 0.0015
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0994 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.2906 0.2895
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.0839 0.0839
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0994 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0667 0.6486 0.6481
Loa Loa (eye worm) hypothetical protein 0.0074 0.0119 0.0119
Loa Loa (eye worm) RNA binding protein 0.0068 0.0055 0.0055
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0064 0.0015 0.0015
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0119 0.0237
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0333 0.2906 0.2906
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.007 0.007
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0074 0.0119 0.0119
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0064 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0188 0.1345 0.1345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0531 0.0531
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0994 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.2906 0.2895
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0064 0.0015 0.0015
Onchocerca volvulus 0.0114 0.0548 0.6105
Brugia malayi beta-lactamase family protein 0.0074 0.0119 0.0119
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0994 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0537 0.509 0.5082
Loa Loa (eye worm) hypothetical protein 0.0074 0.0119 0.0119
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0077 0.015 0.015
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0333 0.2906 0.2895
Leishmania major hypothetical protein, conserved 0.0074 0.0119 0.0104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0994 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0188 0.1345 0.1345
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0333 0.2906 0.2895
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0119 0.0104
Mycobacterium leprae Probable lipase LipE 0.0074 0.0119 1
Toxoplasma gondii ABC1 family protein 0.0074 0.0119 0.0143
Loa Loa (eye worm) hypothetical protein 0.0203 0.1502 0.1502
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0064 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0074 0.0119 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0055 0.0055
Echinococcus multilocularis geminin 0.0181 0.1274 0.1274
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.007 0.007
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0064 0.0015 0.0015
Brugia malayi beta-lactamase family protein 0.0074 0.0119 0.0119
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0796 0.7877 0.7877
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0064 0.0015 0.0015
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0188 0.1345 0.1345
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0064 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0055 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0145 0.0887 0.0873
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0119 0.0237
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0145 0.0887 0.0887
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0119 0.0237
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0064 0.0015 0.0015
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0994 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0994 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0064 0.0015 0.0015
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0064 0.0015 0.5
Echinococcus multilocularis 0.0064 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0791 0.7816 0.7813
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0323 0.2798 0.2787
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0188 0.1345 0.1332
Mycobacterium tuberculosis Conserved protein 0.0074 0.0119 0.0237
Loa Loa (eye worm) hypothetical protein 0.0112 0.0531 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0536 0.5081 0.5074
Entamoeba histolytica hypothetical protein 0.0188 0.1345 0.1332
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0074 0.0119 0.0119
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0994 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0537 0.509 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0645 0.6255 0.625
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0119 0.0237
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0119 0.0237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0188 0.1345 0.1332
Loa Loa (eye worm) hypothetical protein 0.0209 0.1576 0.1576
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0064 0.0015 0.0015
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0994 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1439 0.1439
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0119 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.047 0.4374 0.4366
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0333 0.2906 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0536 0.5081 0.5074
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0064 0.0015 0.0015
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0209 0.1576 0.2153
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0015 0.0015
Mycobacterium tuberculosis Conserved protein 0.0074 0.0119 0.0237
Echinococcus granulosus tar DNA binding protein 0.0068 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0145 0.0887 0.0887
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0064 0.0015 0.0015
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0015 0.0015
Loa Loa (eye worm) phosphatidylinositol 3 0.0333 0.2906 0.2906
Toxoplasma gondii FATC domain-containing protein 0.0188 0.1345 0.1835
Mycobacterium ulcerans beta-lactamase 0.0074 0.0119 0.0448
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0188 0.1345 0.1345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5704 0.5698
Mycobacterium ulcerans hypothetical protein 0.017 0.1155 1
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0119 1
Onchocerca volvulus 0.0064 0.0015 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0588 0.5641 0.5634
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0124 0.0657 0.0642
Schistosoma mansoni hypothetical protein 0.0064 0.0015 0.0015
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.0969 0.0956
Trichomonas vaginalis PIKK family atypical protein kinase 0.0188 0.1345 0.1332
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0055 0.0055
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5323 0.5323
Echinococcus granulosus geminin 0.0181 0.1274 0.1274
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5323 0.5323
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1439 0.1439
Giardia lamblia GTOR 0.0994 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.7265 0.7261
Brugia malayi RNA binding protein 0.0068 0.0055 0.0055
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0064 0.0015 0.0015
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0119 0.0104
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0064 0.0015 0.0015
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.007 0.007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0181 0.1274 0.1274
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.0839 0.0839
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0055 0.0055
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0188 0.1345 0.1345
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0791 0.7825 0.7822
Mycobacterium ulcerans lipase LipD 0.0074 0.0119 0.0448
Leishmania major mitochondrial DNA polymerase beta 0.0323 0.2798 0.2787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0588 0.5641 0.5634
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0188 0.1345 0.1332
Toxoplasma gondii target of rapamycin (TOR), putative 0.0739 0.7265 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0119 0.0119
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0119 0.0119
Schistosoma mansoni alpha-glucosidase 0.0169 0.1145 0.1145
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.029 0.029
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0333 0.2906 0.2906
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.029 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0994 1 1
Trichomonas vaginalis esterase, putative 0.0074 0.0119 0.0104
Schistosoma mansoni hypothetical protein 0.0077 0.015 0.015
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0064 0.0015 0.0015
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0119 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0849 0.8439 0.8437
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0531 0.0531
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0323 0.2798 0.2787
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0188 0.1345 0.1332
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0188 0.1345 0.1345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.2906 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0015 0.0015
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0153 0.0969 0.0956
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0055 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5704 0.5698
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0333 0.2906 0.2906
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0064 0.0015 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 7.3753 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with 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), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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