Detailed information for compound 1585568

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.447 | Formula: C21H24FN5O
  • H donors: 1 H acceptors: 3 LogP: 3.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)n1ncc2c1CC(C)(C)CC2NC(=O)c1cc(n(n1)C)C
  • InChi: 1S/C21H24FN5O/c1-13-8-17(25-26(13)4)20(28)24-18-10-21(2,3)11-19-16(18)12-23-27(19)15-7-5-6-14(22)9-15/h5-9,12,18H,10-11H2,1-4H3,(H,24,28)
  • InChiKey: RKCCYHPULNJLHC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma brucei importin beta-1 subunit, putative 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 infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma brucei gambiense importin beta-1 subunit, putative 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
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 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
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) hypothetical protein 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
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis GTP binding nuclear protein Ran 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
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Brugia malayi Importin beta-1 subunit 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 GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein 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 vivax GTP-binding nuclear protein RAN/TC4, putative 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
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 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) GTP-binding nuclear protein RAN/TC4 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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative 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
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran 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
Leishmania donovani 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
Echinococcus multilocularis importin subunit beta 1 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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, 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
Trypanosoma congolense importin beta-1 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
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran 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
Plasmodium knowlesi importin beta, putative 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
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative 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
Echinococcus granulosus GTP binding nuclear protein Ran 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
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative 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
Candida albicans karyopherin-beta 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase 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
Candida albicans karyopherin-beta 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
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium falciparum importin beta, putative 0.0035 0.0394 0.9419
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0 0.0001
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0079 0.1076 0.1074
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0252 0.0451
Trypanosoma brucei trypanothione reductase 0.0036 0.0415 1
Loa Loa (eye worm) glutathione reductase 0.0036 0.0415 0.0742
Echinococcus multilocularis microtubule associated protein 2 0.066 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.1127 0.4094
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0218 0.4763
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0079 0.1076 0.2866
Brugia malayi Thioredoxin reductase 0.0036 0.0415 0.1105
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Echinococcus granulosus snurportin 1 0.0372 0.5568 0.5567
Schistosoma mansoni hypothetical protein 0.0079 0.1076 0.1058
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.001 0.002 0.0018
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0252 0.5681
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0252 0.5532
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0307 0.0287
Brugia malayi RNA, U transporter 1 0.0099 0.138 0.3676
Loa Loa (eye worm) hypothetical protein 0.0079 0.1076 0.193
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.001 0.002 0.0018
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0394 0.5716
Echinococcus granulosus single minded 2 0.0033 0.0372 0.037
Brugia malayi hypothetical protein 0.0151 0.2184 0.5819
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.026 0.0562
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0422 0.0421
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0052 0.0333
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0079 0.1076 0.1074
Mycobacterium ulcerans glutaminase 0.0254 0.3753 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0268 0.0479
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0218 0.4763
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.026 0.0692
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Brugia malayi Importin beta-1 subunit 0.0035 0.0394 0.1049
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0218 0.4582
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.2678 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0307 0.0305
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.026 0.0793
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0026 0.026 0.0836
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.026 0.0562
Loa Loa (eye worm) hypothetical protein 0.0023 0.0218 0.0389
Loa Loa (eye worm) hypoxia-induced factor 1 0.014 0.2004 0.3597
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.5568 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.2678 0.7106
Schistosoma mansoni cpg binding protein 0.0028 0.0291 0.0272
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Trypanosoma brucei PAB1-binding protein , putative 0.0023 0.0218 0.4582
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0079 0.1076 0.1058
Echinococcus multilocularis cpg binding protein 0.0028 0.0291 0.029
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0083 0.1127 0.4122
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.1127 0.4094
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0013 0.0052 0.0333
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0252 1
Schistosoma mansoni hypothetical protein 0.0379 0.5686 0.5677
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0252 0.5532
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0092 0.1268 0.4658
Plasmodium vivax ataxin-2 like protein, putative 0.0023 0.0218 0.4582
Onchocerca volvulus 0.0033 0.0372 0.1006
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0052 0.0137
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.2678 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0394 0.9419
Mycobacterium tuberculosis Probable oxidoreductase 0.0092 0.1268 0.4633
Brugia malayi glutaminase DH11.1 0.0254 0.3753 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0045 0.0552 0.0533
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0415 1
Schistosoma mansoni microtubule-associated protein tau 0.066 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0307 0.0305
Mycobacterium ulcerans putative regulatory protein 0.0033 0.0372 0.0865
Brugia malayi glutathione reductase 0.0036 0.0415 0.1105
Schistosoma mansoni apoptosis regulator bax 0.0079 0.1076 0.1058
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.1127 0.4094
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0052 0.0032
Plasmodium vivax importin-beta 2, putative 0.0035 0.0394 0.9419
Leishmania major GTP-binding protein, putative 0.0026 0.0252 0.5681
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.026 0.3478
Echinococcus multilocularis aryl hydrocarbon receptor 0.0012 0.0039 0.0037
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0293 0.0683
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0052 0.005
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0293 0.6747
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Trichomonas vaginalis ran, putative 0.0026 0.0252 0.0575
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0307 0.0287
Plasmodium vivax glutathione reductase, putative 0.0036 0.0415 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0252 0.5532
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.026 0.0562
Loa Loa (eye worm) glutaminase 2 0.0254 0.3753 0.674
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0012 0.0039 0.0037
Onchocerca volvulus 0.0027 0.0268 0.0692
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0218 0.4582
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0293 0.0683
Echinococcus multilocularis snurportin 1 0.0372 0.5568 0.5567
Echinococcus granulosus dnaJ subfamily B 0.0379 0.5686 0.5685
Plasmodium falciparum glutathione reductase 0.0036 0.0415 1
Brugia malayi hypothetical protein 0.0023 0.0218 0.0581
Echinococcus multilocularis dnaJ subfamily B 0.0379 0.5686 0.5685
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0293 0.0683
Plasmodium falciparum ornithine aminotransferase 0.0026 0.026 0.5731
Loa Loa (eye worm) apoptosis regulator protein 0.0079 0.1076 0.193
Schistosoma mansoni ran 0.0026 0.0252 0.0233
Echinococcus multilocularis Aminotransferase class III 0.0026 0.026 0.0258
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.02 0.2926 0.5254
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0079 0.1076 0.1074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0058 0.0743 0.0724
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.026 0.0258
Loa Loa (eye worm) hypothetical protein 0.0035 0.0394 0.0704
Schistosoma mansoni hypothetical protein 0.0079 0.1076 0.1058
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0092 0.1268 0.4633
Onchocerca volvulus 0.0227 0.3349 1
Toxoplasma gondii thioredoxin reductase 0.0036 0.0415 0.6068
Entamoeba histolytica hypothetical protein 0.0028 0.0293 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0394 0.0392
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0052 0.005
Trichomonas vaginalis set domain proteins, putative 0.0227 0.3349 0.8911
Plasmodium vivax SET domain protein, putative 0.0029 0.0307 0.7019
Brugia malayi hypoxia-induced factor 1 0.014 0.2004 0.5339
Echinococcus granulosus Aminotransferase class III 0.0026 0.026 0.0258
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.026 1
Onchocerca volvulus 0.0029 0.0307 0.0808
Mycobacterium ulcerans hypothetical protein 0.0184 0.2678 0.7096
Loa Loa (eye worm) thioredoxin reductase 0.0036 0.0415 0.0742
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0307 0.0287
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0307 0.4259
Loa Loa (eye worm) glutaminase 0.0254 0.3753 0.674
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0307 0.0305
Schistosoma mansoni cpg binding protein 0.0027 0.0268 0.0249
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0252 0.3357
Echinococcus granulosus ornithine aminotransferase 0.0026 0.026 0.0258
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.026 0.0793
Schistosoma mansoni cpg binding protein 0.0028 0.0291 0.0272
Echinococcus granulosus cpg binding protein 0.0028 0.0291 0.029
Loa Loa (eye worm) hypothetical protein 0.0029 0.0307 0.0548
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.026 0.0258
Schistosoma mansoni ran 0.0026 0.0252 0.0233
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0307 0.0287
Echinococcus granulosus aryl hydrocarbon receptor 0.0012 0.0039 0.0037
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0 0.0001
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0079 0.1076 0.1074
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0026 0.026 0.0836
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0281 0.028
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0092 0.1268 0.4633
Echinococcus multilocularis transfer RNA-Lys 0.0033 0.0372 0.037
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.026 0.0793
Schistosoma mansoni single-minded 0.0045 0.0552 0.0533
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0052 0.0333
Brugia malayi Pre-SET motif family protein 0.0029 0.0307 0.0817
Mycobacterium tuberculosis Probable reductase 0.0083 0.1127 0.4094
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0052 0.0034
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0026 0.026 0.0836
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.2678 0.7096
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0012 0.0039 0.0037
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.1127 0.4094
Plasmodium vivax thioredoxin reductase, putative 0.0036 0.0415 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0394 0.0392
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0252 0.0251
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.026 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0052 0.0567
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0252 0.0673
Schistosoma mansoni hypothetical protein 0.0372 0.5568 0.5559
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.026 0.0562
Toxoplasma gondii histone lysine methyltransferase SET1 0.0052 0.065 1
Trichomonas vaginalis glutaminase, putative 0.0254 0.3753 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.026 0.024
Schistosoma mansoni glutaminase 0.0254 0.3753 0.3741
Brugia malayi bHLH-PAS transcription factor 0.0033 0.0372 0.0991
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.026 0.0793
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0052 0.0333
Schistosoma mansoni importin beta-1 0.0035 0.0394 0.0374
Leishmania major importin beta-1 subunit, putative 0.0028 0.0293 0.6747
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0052 0.0333
Plasmodium falciparum thioredoxin reductase 0.0036 0.0415 1
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0052 0.0034
Brugia malayi PAS domain containing protein 0.0045 0.0552 0.1471
Brugia malayi CXXC zinc finger family protein 0.0027 0.0268 0.0714
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.026 0.5731
Leishmania major trypanothione reductase 0.0036 0.0415 1
Brugia malayi hypothetical protein 0.0015 0.0091 0.0242
Loa Loa (eye worm) hypothetical protein 0.0151 0.2184 0.3921
Toxoplasma gondii LsmAD domain-containing protein 0.0023 0.0218 0.2781
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0067
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0422 0.0421
Treponema pallidum NADH oxidase 0.0013 0.0052 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.1127 0.4094
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0012 0.0039 0.0067
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0036 0.0415 0.1383
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.026 0.0562
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.026 0.0562
Brugia malayi Pre-SET motif family protein 0.02 0.2926 0.7797
Leishmania major hypothetical protein, conserved 0.0023 0.0218 0.4763
Schistosoma mansoni hypothetical protein 0.0079 0.1076 0.1058
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0252 0.0251
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0013 0.0052 0.0333
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0252 0.5681
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0394 0.9419
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.2678 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 2.72 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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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