Detailed information for compound 1270460

Basic information

Technical information
  • TDR Targets ID: 1270460
  • Name: [4-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5- yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)me thanone
  • MW: 356.419 | Formula: C19H24N4O3
  • H donors: 0 H acceptors: 3 LogP: 2.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N1CCN(CC1)Cc1onc(n1)CC1CC1
  • InChi: 1S/C19H24N4O3/c1-25-16-6-4-15(5-7-16)19(24)23-10-8-22(9-11-23)13-18-20-17(21-26-18)12-14-2-3-14/h4-7,14H,2-3,8-13H2,1H3
  • InChiKey: GXBLGMQIPVHCKI-UHFFFAOYSA-N  

Network

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Synonyms

  • [4-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-(4-methoxyphenyl)methanone
  • MLS000734664
  • SMR000319336
  • 1-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxybenzoyl)piperazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense GTP-binding nuclear protein rtb2, 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
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, 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
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Mitochondrial aldehyde dehydrogenase 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
Theileria parva GTP-binding nuclear protein ran, 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
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, 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
Schistosoma japonicum Importin subunit beta-1, 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi 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
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein 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
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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Ran family GTPase 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 mexicana 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
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, 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
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein 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
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran 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
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans 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
Schistosoma japonicum Importin subunit beta, 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 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
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Probable 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
Echinococcus multilocularis importin subunit beta 1 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense 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
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative 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
Cryptosporidium hominis importin-beta2 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
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
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.023 0.5875 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Echinococcus granulosus hypothetical protein 0.023 0.5875 0.5794
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Mycobacterium tuberculosis Probable oxidoreductase 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1313 0.041
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Trypanosoma cruzi aldo/keto reductase, putative 0.023 0.5875 1
Toxoplasma gondii aldose reductase, putative 0.023 0.5875 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Schistosoma mansoni hypothetical protein 0.0372 1 1
Trypanosoma cruzi aldo-keto reductase 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1313 0.041
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1313 0.041
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1118 0.1903
Toxoplasma gondii aldo-keto reductase 0.0067 0.1118 0.1629
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Entamoeba histolytica aldose reductase, putative 0.023 0.5875 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1313 0.1973
Plasmodium falciparum aldehyde reductase, putative 0.0067 0.1118 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1313 0.041
Echinococcus multilocularis aldo keto reductase 0.023 0.5875 0.5794
Onchocerca volvulus 0.023 0.5875 1
Mycobacterium leprae Conserved hypothetical protein 0.0163 0.3935 0.5922
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0067 0.1118 0.1903
Onchocerca volvulus 0.023 0.5875 1
Loa Loa (eye worm) oxidoreductase 0.023 0.5875 0.5794
Loa Loa (eye worm) oxidoreductase 0.023 0.5875 0.5794
Loa Loa (eye worm) oxidoreductase 0.023 0.5875 0.5794
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1313 0.1143
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1313 0.2235
Trichomonas vaginalis aldo/keto reductase, putative 0.023 0.5875 1
Entamoeba histolytica aldose reductase, putative 0.023 0.5875 1
Schistosoma mansoni potassium channel beta 0.0067 0.1118 0.0944
Echinococcus granulosus aldehyde reductase 0.0163 0.3935 0.3816
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.023 0.5875 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1313 0.1143
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Brugia malayi RNA, U transporter 1 0.0099 0.2061 0.3289
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Loa Loa (eye worm) hypothetical protein 0.023 0.5875 0.5794
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1313 0.1143
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.023 0.5875 1
Leishmania major aldo-keto reductase-like protein 0.023 0.5875 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0067 0.1118 0.1903
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1313 0.1143
Plasmodium vivax aldehyde reductase, putative 0.0067 0.1118 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.023 0.5875 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Echinococcus granulosus aldo keto reductase 0.023 0.5875 0.5794
Echinococcus granulosus voltage gated potassium channel subunit 0.0067 0.1118 0.0944
Echinococcus multilocularis aldo keto reductase 0.023 0.5875 0.5794
Echinococcus multilocularis voltage gated potassium channel subunit 0.0067 0.1118 0.0944
Entamoeba histolytica aldose reductase, putative 0.023 0.5875 1
Schistosoma mansoni aldo-keto reductase 0.023 0.5875 0.5794
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0067 0.1118 1
Echinococcus granulosus aldo keto reductase 0.023 0.5875 0.5794
Echinococcus multilocularis snurportin 1 0.0372 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.023 0.5875 1
Trypanosoma brucei prostaglandin f synthase 0.023 0.5875 1
Echinococcus multilocularis aldo keto reductase 0.023 0.5875 0.5794
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Entamoeba histolytica alcohol dehydrogenase, putative 0.0067 0.1118 0.1903
Mycobacterium ulcerans oxidoreductase 0.023 0.5875 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.023 0.5875 1
Echinococcus granulosus aldo keto reductase 0.023 0.5875 0.5794
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.023 0.5875 1
Trichomonas vaginalis aldo/keto reductase, putative 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Onchocerca volvulus 0.023 0.5875 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.023 0.5875 0.5794
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0067 0.1118 0.1629
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Onchocerca volvulus 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0067 0.1118 0.1903
Echinococcus multilocularis aldehyde reductase 0.0163 0.3935 0.3816
Trichomonas vaginalis aldo-keto reductase, putative 0.0067 0.1118 0.1903
Brugia malayi NADH-dependent xylose reductase 0.0067 0.1118 0.1629
Echinococcus multilocularis aldo keto reductase 0.023 0.5875 0.5794
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0067 0.1118 0.0944
Onchocerca volvulus 0.023 0.5875 1
Trypanosoma brucei aldo/keto reductase, putative 0.0067 0.1118 0.1629
Loa Loa (eye worm) oxidoreductase 0.023 0.5875 0.5794
Schistosoma mansoni aldo-keto reductase 0.023 0.5875 0.5794
Echinococcus granulosus aldo keto reductase family 1 member B4 0.023 0.5875 0.5794
Schistosoma mansoni pol-related 0.023 0.5875 0.5794
Leishmania major prostaglandin f synthase, putative 0.023 0.5875 1
Onchocerca volvulus 0.023 0.5875 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0067 0.1118 0.1903
Giardia lamblia Aldose reductase 0.023 0.5875 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0067 0.1118 0.1903
Giardia lamblia Aldose reductase 0.023 0.5875 0.5
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0067 0.1118 0.1629
Trichomonas vaginalis aldo/keto reductase, putative 0.023 0.5875 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0067 0.1118 0.1629
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0067 0.1118 0.0944
Plasmodium falciparum aldo-keto reductase, putative 0.0067 0.1118 1
Loa Loa (eye worm) oxidoreductase 0.023 0.5875 0.5794
Trypanosoma brucei aldo-keto reductase, putative 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0067 0.1118 0.1903
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.023 0.5875 1
Trichomonas vaginalis aldo-keto reductase, putative 0.023 0.5875 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.3115 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) 4.6109 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) 13.1154 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) = 17.7828 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

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.

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