Detailed information for compound 1283025

Basic information

Technical information
  • TDR Targets ID: 1283025
  • Name: 2-methylsulfanyl-4-(3-methylthiophen-2-yl)-6- oxo-4,5-dihydro-1H-pyridine-3-carbonitrile
  • MW: 264.366 | Formula: C12H12N2OS2
  • H donors: 1 H acceptors: 2 LogP: 1.63 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(SC)NC(=O)CC1c1sccc1C
  • InChi: 1S/C12H12N2OS2/c1-7-3-4-17-11(7)8-5-10(15)14-12(16-2)9(8)6-13/h3-4,8H,5H2,1-2H3,(H,14,15)
  • InChiKey: LEZRZQWCQCVNNC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methylsulfanyl-4-(3-methyl-2-thienyl)-6-oxo-4,5-dihydro-1H-pyridine-3-carbonitrile
  • 4-(3-methyl-2-thienyl)-2-(methylthio)-6-oxo-4,5-dihydro-1H-pyridine-3-carbonitrile
  • 6-keto-4-(3-methyl-2-thienyl)-2-(methylthio)-4,5-dihydro-1H-pyridine-3-carbonitrile
  • SMR000280927
  • STOCK2S-60359
  • BAS 00866168
  • AE-848/11829304
  • MLS000711160

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Mitochondrial 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
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor 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
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Mitochondrial aldehyde dehydrogenase 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 japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 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
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0957 0.1187 0.2589
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2877 0.3839 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.026 0.0677
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1493 0.1926 0.5037
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2877 0.3839 0.3768
Leishmania major hypothetical protein, unknown function 0.0287 0.026 0.0407
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0287 0.026 0.0309
Echinococcus granulosus serine protein kinase ATM 0.1245 0.1584 0.1487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1493 0.1926 0.5037
Echinococcus multilocularis Zinc finger, PHD finger 0.0287 0.026 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1245 0.1584 0.638
Echinococcus granulosus snurportin 1 0.0372 0.0377 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0287 0.026 0.0309
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0651 0.0763 0.0657
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.063 0.1782
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1493 0.1926 0.4821
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.026 0.0677
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2877 0.3839 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0287 0.026 0.0148
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0938 0.116 0.4337
Loa Loa (eye worm) hypothetical protein 0.0957 0.1187 0.4466
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0287 0.026 0.0309
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.026 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0842 0.1027 0.0924
Leishmania major phosphatidylinositol 3-kinase, putative 0.1493 0.1926 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.1027 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0287 0.026 0.0148
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0287 0.026 0.0309
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2877 0.3839 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0287 0.026 0.5
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0287 0.026 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1493 0.1926 0.8033
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0287 0.026 0.0148
Mycobacterium leprae conserved hypothetical protein 0.0287 0.026 0.5
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0287 0.026 0.0148
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1493 0.1926 0.5018
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus granulosus geminin 0.0205 0.0146 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0287 0.026 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0555 0.063 0.1782
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.026 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1493 0.1926 0.1834
Onchocerca volvulus 0.0287 0.026 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.069 0.0817 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0287 0.026 0.0148
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0287 0.026 0.0309
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0651 0.0763 0.0657
Loa Loa (eye worm) hypothetical protein 0.0295 0.0271 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.1027 0.3696
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.026 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.1027 0.3696
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0287 0.026 0.0148
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1493 0.1926 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0287 0.026 0.5
Loa Loa (eye worm) hypothetical protein 0.0842 0.1027 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus multilocularis snurportin 1 0.0372 0.0377 0.0266
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1493 0.1926 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.1027 0.3696
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1245 0.1584 0.3698
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2877 0.3839 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0938 0.116 0.5399
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Loa Loa (eye worm) hypothetical protein 0.0651 0.0763 0.2423
Trypanosoma cruzi target of rapamycin kinase 3 0.1493 0.1926 0.4656
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0287 0.026 0.0309
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1493 0.1926 0.4656
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0287 0.026 0.0148
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.7333 1 1
Toxoplasma gondii FATC domain-containing protein 0.1245 0.1584 0.7942
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0287 0.026 0.0148
Plasmodium vivax hypothetical protein, conserved 0.0287 0.026 0.5
Loa Loa (eye worm) hypothetical protein 0.0938 0.116 0.4337
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.026 0.0677
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0287 0.026 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1493 0.1926 0.4656
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1493 0.1926 0.8033
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0287 0.026 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0938 0.116 0.4337
Loa Loa (eye worm) hypothetical protein 0.0295 0.0271 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0651 0.0763 0.2423
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1788 0.2335 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1245 0.1584 0.3893
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Toxoplasma gondii target of rapamycin (TOR), putative 0.1493 0.1926 1
Leishmania major phosphatidylinositol 4-kinase, putative 0.0287 0.026 0.0407
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1493 0.1926 0.8033
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0287 0.026 0.0407
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0842 0.1027 0.0924
Loa Loa (eye worm) phosphatidylinositol 3 0.1493 0.1926 0.8033
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0287 0.026 0.5
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0287 0.026 0.0148
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1493 0.1926 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.1027 0.3696
Schistosoma mansoni fkbp-rapamycin associated protein 0.0842 0.1027 0.2385
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Echinococcus multilocularis 0.0287 0.026 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1435 0.5663
Trypanosoma cruzi hypothetical protein, conserved 0.2498 0.3316 0.8538
Echinococcus multilocularis serine protein kinase ATM 0.1245 0.1584 0.1487
Entamoeba histolytica protein kinase rad3, putative 0.0842 0.1027 0.4601
Loa Loa (eye worm) phosphatidylinositol 3 0.1788 0.2335 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1788 0.2335 0.617
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0287 0.026 0.0148
Echinococcus multilocularis geminin 0.0205 0.0146 0.0033
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0287 0.026 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.1027 0.3696
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1493 0.1926 0.8033
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0842 0.1027 0.2142
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1245 0.1584 0.4125
Brugia malayi FAT domain containing protein 0.0651 0.0763 0.1987
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.1493 0.1926 0.8033
Leishmania major hypothetical protein, conserved 0.2785 0.3713 1
Onchocerca volvulus 0.0287 0.026 0.5
Schistosoma mansoni hypothetical protein 0.0372 0.0377 0.0625
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0287 0.026 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0938 0.116 0.4337
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0377 0.0563
Plasmodium vivax hypothetical protein 0.0287 0.026 0.5
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0287 0.026 0.5
Giardia lamblia GTOR 0.1493 0.1926 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0842 0.1027 0.2675
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1788 0.2335 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1245 0.1584 0.638
Leishmania major phosphatidylinositol kinase, putative 0.0287 0.026 0.0407
Schistosoma mansoni hypothetical protein 0.0651 0.0763 0.167
Leishmania major phosphatidylinositol kinase related protein, putative 0.069 0.0817 0.1954
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0287 0.026 0.0309
Entamoeba histolytica hypothetical protein 0.1245 0.1584 0.7942
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1137 0.1435 0.705
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1493 0.1926 0.1834
Mycobacterium tuberculosis Conserved hypothetical protein 0.0287 0.026 0.5
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2877 0.3839 0.3768
Schistosoma mansoni hypothetical protein 0.0287 0.026 0.0309
Leishmania major phosphatidylinositol 3-kinase, putative 0.0287 0.026 0.0407

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1032 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 7.3078 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 10 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 100 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

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.