Detailed information for compound 1125520

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.486 | Formula: C25H26N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1[C@@H](NCC=CC[C@H](N1Cc1ccccc1)c1ccco1)Cc1ccccc1
  • InChi: 1S/C25H26N2O2/c28-25-22(18-20-10-3-1-4-11-20)26-16-8-7-14-23(24-15-9-17-29-24)27(25)19-21-12-5-2-6-13-21/h1-13,15,17,22-23,26H,14,16,18-19H2/t22-,23-/m0/s1
  • InChiKey: FEOKNKSGMNNDFL-GOTSBHOMSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 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
Schistosoma japonicum Importin subunit beta, putative 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
Neospora caninum hypothetical protein 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense 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
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
Plasmodium berghei importin beta, 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
Plasmodium knowlesi importin beta, 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
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
Plasmodium falciparum importin beta, 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 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
Leishmania braziliensis 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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, 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
Schistosoma mansoni importin beta-1 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 Importin beta-1 subunit, putative 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
Trypanosoma cruzi importin beta-1 subunit, 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
Leishmania major importin beta-1 subunit, putative 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
Leishmania mexicana 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
Echinococcus granulosus importin subunit beta 1 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
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0257 0.0295 0.1864
Giardia lamblia Methyltransferase like 2 0.1244 0.1564 0.5
Chlamydia trachomatis acyl carrier protein 0.0417 0.0502 0.2016
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0425 0.0512 0.0366
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0443 0.0489
Plasmodium vivax hypothetical protein, conserved 0.0592 0.0726 0.5561
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0025 0.0094
Loa Loa (eye worm) AMP-binding enzyme family protein 0.3866 0.4932 0.5562
Onchocerca volvulus 0.3866 0.4932 0.5056
Trypanosoma cruzi acyl transferase-like protein, putative 0.0261 0.0301 0.2305
Echinococcus granulosus carbonic anhydrase 0.011 0.0107 0.0633
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0417 0.0502 0.0291
Loa Loa (eye worm) hypothetical protein 0.1224 0.1538 0.1727
Mycobacterium ulcerans oxidoreductase 0.0257 0.0295 0.0083
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0257 0.0295 0.1878
Leishmania major quinone oxidoreductase, putative 0.0257 0.0295 0.1878
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.3308 0.4214 0.5211
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0257 0.0295 0.0295
Trypanosoma cruzi oxidoreductase, putative 0.0257 0.0295 0.2264
Mycobacterium ulcerans quinone oxidoreductase 0.0257 0.0295 0.0083
Toxoplasma gondii LsmAD domain-containing protein 0.0041 0.0019 0.0014
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0257 0.0295 0.0083
Echinococcus multilocularis AMP dependent ligase 0.0418 0.0503 0.3223
Loa Loa (eye worm) hypothetical protein 0.0106 0.0103 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0025 0.0146
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0207 0.0232 0.009
Trypanosoma cruzi oxidoreductase, putative 0.0257 0.0295 0.2264
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0592 0.0726 0.5561
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0257 0.0295 0.2264
Loa Loa (eye worm) fatty acid synthase 0.4075 0.52 0.5865
Echinococcus multilocularis neuroligin 0.0207 0.0232 0.1446
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1037 0.1297 1
Onchocerca volvulus Fatty acid synthase homolog 0.7445 0.9528 1
Onchocerca volvulus 0.0257 0.0295 0.0069
Trypanosoma brucei oxidoreductase, putative 0.0257 0.0295 0.2213
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0257 0.0295 0.1878
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.0106 0.0613
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0035 0.0012 0.0012
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0634 0.078 0.0801
Mycobacterium tuberculosis Carboxylesterase LipT 0.0207 0.0232 0.009
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.1009 0.1262 0.1426
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0417 0.0502 0.0555
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0257 0.0295 0.2264
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0417 0.0502 0.044
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0338 0.0401 0.2552
Onchocerca volvulus 0.7196 0.9208 0.9656
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0257 0.0295 0.0295
Mycobacterium ulcerans polyketide synthase Pks13 0.6158 0.7874 1
Schistosoma mansoni carbonic anhydrase-related 0.011 0.0107 0.0623
Echinococcus multilocularis acetylcholinesterase 0.1224 0.1538 1
Echinococcus multilocularis NADH dehydrogenase 0.0417 0.0502 0.3214
Leishmania major d-xylulose reductase, putative 0.0257 0.0295 0.1878
Loa Loa (eye worm) carboxylesterase 0.1224 0.1538 0.1727
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.2088 0.2648 0.4734
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0257 0.0295 0.0083
Leishmania major hypothetical protein, conserved 0.1244 0.1564 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0257 0.0295 0.0083
Loa Loa (eye worm) hypothetical protein 0.0257 0.0295 0.0322
Schistosoma mansoni hypothetical protein 0.0205 0.0229 0.1404
Trichomonas vaginalis spcc417.12 protein, putative 0.0207 0.0232 0.1469
Mycobacterium tuberculosis Polyketide synthase Pks13 0.6158 0.7874 1
Leishmania major zinc-binding dehydrogenase-like protein 0.0257 0.0295 0.1878
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0025 0.0094
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0425 0.0512 0.0453
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0207 0.0232 0.1423
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0425 0.0512 0.0285
Loa Loa (eye worm) hypothetical protein 0.0046 0.0025 0.0016
Treponema pallidum acyl carrier protein 0.0417 0.0502 0.5
Schistosoma mansoni alcohol dehydrogenase 0.0257 0.0295 0.1833
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.011 0.0107 0.0107
Echinococcus multilocularis muscleblind protein 0.0106 0.0103 0.0601
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1224 0.1538 0.9836
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0257 0.0295 0.1878
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0257 0.0295 0.0083
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.4004 0.5108 0.6413
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0257 0.0295 0.0322
Mycobacterium leprae Polyketide synthase Pks13 0.6158 0.7874 1
Mycobacterium ulcerans thioesterase 0.3442 0.4386 0.5436
Mycobacterium ulcerans Type I modular polyketide synthase 0.4115 0.525 0.6567
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0203 0.0227 0.1736
Brugia malayi Carboxylesterase family protein 0.0207 0.0232 0.0232
Echinococcus multilocularis carbonic anhydrase 0.011 0.0107 0.0633
Brugia malayi AMP-binding enzyme family protein 0.1271 0.1598 0.1598
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0257 0.0295 0.0295
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0634 0.078 0.0801
Schistosoma mansoni [ACP] S-malonyltransferase 0.0261 0.0301 0.1868
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.4115 0.525 0.6598
Mycobacterium ulcerans fatty acid synthase Fas 0.1297 0.1632 0.1833
Toxoplasma gondii type I fatty acid synthase 0.0634 0.078 0.138
Mycobacterium ulcerans polyketide synthase Pks9 0.2716 0.3454 0.4216
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0417 0.0502 0.0502
Echinococcus granulosus carboxylesterase 5A 0.1224 0.1538 1
Loa Loa (eye worm) hypothetical protein 0.1224 0.1538 0.1727
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0257 0.0295 0.0083
Toxoplasma gondii type I fatty acid synthase, putative 0.4372 0.5581 1
Mycobacterium ulcerans acyl carrier protein 0.0417 0.0502 0.0353
Echinococcus multilocularis geminin 0.0205 0.0229 0.1428
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.3362 0.4284 0.5345
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0634 0.078 0.0801
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.167 0.2111 0.2527
Mycobacterium tuberculosis Polyketide synthase Pks2 0.4004 0.5108 0.6413
Schistosoma mansoni patched 1 0.0046 0.0025 0.0093
Trypanosoma cruzi PAB1-binding protein , putative 0.0041 0.0019 0.0127
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0418 0.0503 0.0274
Schistosoma mansoni acetylcholinesterase 0.0207 0.0232 0.1423
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0207 0.0232 0.1423
Onchocerca volvulus Putative alcohol dehydrogenase 0.0257 0.0295 0.0069
Brugia malayi hypothetical protein 0.0041 0.0019 0.0019
Mycobacterium ulcerans acyl carrier protein 0.0417 0.0502 0.0353
Schistosoma mansoni BC026374 protein (S09 family) 0.0207 0.0232 0.1423
Mycobacterium tuberculosis Possible dehydrogenase 0.0257 0.0295 0.0173
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0417 0.0502 0.3214
Echinococcus multilocularis snurportin 1 0.0372 0.0443 0.2832
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0261 0.0301 0.1899
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0418 0.0503 0.0442
Echinococcus multilocularis para nitrobenzyl esterase 0.0207 0.0232 0.1446
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0257 0.0295 0.0083
Mycobacterium ulcerans thioesterase TesA 0.3442 0.4386 0.5436
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0417 0.0502 0.044
Schistosoma mansoni methyltransferase-related 0.1244 0.1564 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.4371 0.558 0.7025
Plasmodium falciparum ataxin-2 like protein, putative 0.0041 0.0019 0.0062
Entamoeba histolytica acyl-CoA synthetase, putative 0.0443 0.0535 1
Mycobacterium ulcerans hypothetical protein 0.0417 0.0502 0.0353
Schistosoma mansoni zinc binding dehydrogenase 0.0257 0.0295 0.1833
Echinococcus granulosus BC026374 protein S09 family 0.0207 0.0232 0.1446
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.1037 0.1297 0.231
Mycobacterium ulcerans dehydrogenase 0.0257 0.0295 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.1244 0.1564 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0425 0.0512 0.0453
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0257 0.0295 0.5504
Echinococcus granulosus carbonic anhydrase 0.011 0.0107 0.0633
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0257 0.0295 0.5504
Toxoplasma gondii hypothetical protein 0.011 0.0107 0.0174
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0257 0.0295 0.0083
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0425 0.0512 0.0453
Mycobacterium ulcerans polyketide synthase MbtC 0.1037 0.1297 0.1394
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0257 0.0295 0.0173
Echinococcus multilocularis carbonic anhydrase 0.011 0.0107 0.0633
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0207 0.0232 0.1446
Echinococcus granulosus neuroligin 0.0207 0.0232 0.1446
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0257 0.0295 0.0173
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.2967 0.3776 0.4687
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0257 0.0295 0.0173
Brugia malayi CHE-14 protein 0.0046 0.0025 0.0025
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.1037 0.1297 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.4115 0.525 0.525
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0207 0.0232 0.009
Loa Loa (eye worm) hypothetical protein 0.0257 0.0295 0.0322
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.011 0.0107 0.0107
Echinococcus granulosus Niemann Pick C1 protein 0.0107 0.0104 0.0609
Brugia malayi Methyltransferase-like protein 4 0.1244 0.1564 0.1564
Leishmania major hypothetical protein, conserved 0.0041 0.0019 0.0105
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0257 0.0295 0.2264
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0203 0.0227 0.1736
Schistosoma mansoni hypothetical protein 0.0417 0.0502 0.3162
Mycobacterium ulcerans polyketide synthase 0.4371 0.558 0.6998
Mycobacterium ulcerans quinone oxidoreductase 0.0257 0.0295 0.0083
Mycobacterium ulcerans quinone reductase Qor 0.0257 0.0295 0.0083
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.1037 0.1297 0.8422
Echinococcus granulosus acetylcholinesterase 0.1224 0.1538 1
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0417 0.0502 0.3816
Mycobacterium ulcerans polyketide synthase MbtD 0.127 0.1597 0.1786
Toxoplasma gondii acyl transferase domain-containing protein 0.0261 0.0301 0.0521
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0112 0.0109 0.0635
Plasmodium vivax acyl carrier protein, putative 0.0417 0.0502 0.3816
Trypanosoma cruzi oxidoreductase, putative 0.0257 0.0295 0.2264
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0257 0.0295 0.0083
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.1037 0.1297 0.8284
Mycobacterium leprae conserved hypothetical protein 0.0417 0.0502 0.0272
Mycobacterium ulcerans oxidoreductase FadB5 0.0257 0.0295 0.0083
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0257 0.0295 0.0173
Trypanosoma cruzi acyl transferase-like protein 0.0261 0.0301 0.2305
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0112 0.0109 0.0646
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0112 0.0109 0.0646
Loa Loa (eye worm) hypothetical protein 0.0041 0.0019 0.0009
Mycobacterium ulcerans oxidoreductase 0.0257 0.0295 0.0083
Brugia malayi Carboxylesterase family protein 0.0207 0.0232 0.0232
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.4115 0.525 0.6538
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.2348 0.2982 0.3656
Mycobacterium tuberculosis Probable thioesterase TesA 0.3442 0.4386 0.5477
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0261 0.0301 0.009
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.4115 0.525 0.6567
Trypanosoma brucei PAB1-binding protein , putative 0.0041 0.0019 0.0062
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0025 0.0016
Leishmania major oxidoreductase, putative 0.0257 0.0295 0.1878
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.1297 0.1632 0.1906
Loa Loa (eye worm) acetylcholinesterase 1 0.1224 0.1538 0.1727
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0417 0.0502 0.3857
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.6158 0.7874 1
Echinococcus granulosus NADH dehydrogenase 0.0417 0.0502 0.3214
Mycobacterium ulcerans acyl-CoA synthetase 0.0425 0.0512 0.0366
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0203 0.0227 0.0227
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0257 0.0295 0.0083
Trypanosoma cruzi PAB1-binding protein , putative 0.0041 0.0019 0.0127
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.011 0.0107 0.0107
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.2716 0.3454 0.4168
Loa Loa (eye worm) acyl carrier protein 0.1899 0.2405 0.2706
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0417 0.0502 0.2059
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0417 0.0502 0.044
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0257 0.0295 0.0173
Echinococcus granulosus AMP dependent ligase 0.0418 0.0503 0.3223
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0257 0.0295 0.0173
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0257 0.0295 0.1864
Trypanosoma brucei carbonic anhydrase-like protein 0.0203 0.0227 0.1682
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0107 0.0104 0.1906
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.1037 0.1297 1
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0257 0.0295 0.0511
Echinococcus granulosus snurportin 1 0.0372 0.0443 0.2832
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0257 0.0295 0.0083
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1037 0.1297 0.1297
Mycobacterium tuberculosis Hypothetical protein 0.1244 0.1564 0.1818
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0418 0.0503 0.0355
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0257 0.0295 0.5504
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0425 0.0512 0.0512
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.1037 0.1297 0.8422
Schistosoma mansoni hypothetical protein 0.0044 0.0023 0.0079
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0203 0.0227 0.0245
Mycobacterium tuberculosis Conserved hypothetical protein 0.0417 0.0502 0.044
Schistosoma mansoni hypothetical protein 0.0044 0.0023 0.0079
Schistosoma mansoni carbonic anhydrase-related 0.011 0.0107 0.0623
Schistosoma mansoni neuroligin 3 (S09 family) 0.0207 0.0232 0.1423
Loa Loa (eye worm) hypothetical protein 0.0634 0.078 0.0869
Mycobacterium ulcerans Type I modular polyketide synthase 0.4115 0.525 0.6567
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0035 0.0012 0.0001
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.1037 0.1297 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0107 0.0109
Mycobacterium tuberculosis Polyketide synthase Pks12 0.4371 0.558 0.7025
Mycobacterium tuberculosis Possible dehydrogenase 0.0257 0.0295 0.0173
Toxoplasma gondii acyl carrier protein ACP 0.0417 0.0502 0.0881
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0112 0.0109 0.0111
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0425 0.0512 0.0366
Echinococcus multilocularis Niemann Pick C1 protein 0.0153 0.0163 0.0996
Echinococcus granulosus muscleblind protein 0.0106 0.0103 0.0601
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0418 0.0503 0.0355
Loa Loa (eye worm) carbonic anhydrase 3 0.0203 0.0227 0.0245
Brugia malayi Carboxylesterase family protein 0.1224 0.1538 0.1538
Mycobacterium tuberculosis Probable oxidoreductase 0.0257 0.0295 0.0173
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.3442 0.4386 0.5398
Echinococcus multilocularis expressed conserved protein 0.0101 0.0095 0.0555
Onchocerca volvulus 0.0257 0.0295 0.0069
Echinococcus multilocularis BC026374 protein (S09 family) 0.0207 0.0232 0.1446
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.3308 0.4214 0.5211
Schistosoma mansoni hypothetical protein 0.0044 0.0023 0.0079
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.127 0.1597 0.186
Brugia malayi Alcohol dehydrogenase class III 0.0257 0.0295 0.0295
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0207 0.0232 0.1469
Loa Loa (eye worm) hypothetical protein 0.0257 0.0295 0.0322
Echinococcus multilocularis muscleblind protein 1 0.0106 0.0103 0.0601
Schistosoma mansoni hypothetical protein 0.0205 0.0229 0.1404
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.4115 0.525 0.6598
Trypanosoma brucei acyl transferase-like protein 0.0261 0.0301 0.2255
Plasmodium vivax ataxin-2 like protein, putative 0.0041 0.0019 0.0062
Mycobacterium ulcerans Type I modular polyketide synthase 0.4115 0.525 0.6567
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0257 0.0295 0.2264
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.1037 0.1297 1
Echinococcus granulosus expressed conserved protein 0.0101 0.0095 0.0555
Leishmania major hypothetical protein, conserved 0.0261 0.0301 0.1912
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0425 0.0512 0.0366
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.4371 0.558 0.7025
Echinococcus granulosus carbonic anhydrase 0.011 0.0107 0.0633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.4371 0.558 0.6973
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.1037 0.1297 0.8293
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0203 0.0227 0.1393
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.1037 0.1297 0.1394
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0634 0.078 0.0639
Loa Loa (eye worm) hypothetical protein 0.011 0.0107 0.0109
Mycobacterium leprae Probable polyketide synthase Pks1 0.4371 0.558 0.6973
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0203 0.0227 0.1393
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Echinococcus multilocularis Niemann Pick C1 protein 0.0107 0.0104 0.0609
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0112 0.0109 0.0646
Brugia malayi Niemann-Pick C1 protein precursor 0.0107 0.0104 0.0104
Brugia malayi Carboxylesterase family protein 0.1224 0.1538 0.1538
Loa Loa (eye worm) hypothetical protein 0.0634 0.078 0.0869
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.1297 0.1632 0.1764
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.011 0.0107 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.0035 0.0012 0.0012
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0257 0.0295 0.0083
Echinococcus granulosus acetylcholinesterase 0.1224 0.1538 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.011 0.0107 0.0107
Schistosoma mansoni carbonic anhydrase 0.011 0.0107 0.0623
Brugia malayi Carboxylesterase family protein 0.0207 0.0232 0.0232
Echinococcus granulosus carbonic anhydrase II 0.0203 0.0227 0.1417
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0207 0.0232 0.1446
Mycobacterium tuberculosis Conserved protein 0.1244 0.1564 0.1818
Loa Loa (eye worm) carboxylesterase 0.0207 0.0232 0.025
Trypanosoma brucei oxidoreductase, putative 0.0257 0.0295 0.2213
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0257 0.0295 0.0173
Brugia malayi RNA, U transporter 1 0.0099 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0106 0.0103 0.0104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0112 0.0109 0.0635
Brugia malayi hypothetical protein 0.0207 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0257 0.0295 0.2264
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0207 0.0232 0.1423
Entamoeba histolytica acyl-CoA synthetase, putative 0.0418 0.0503 0.9403
Echinococcus granulosus para nitrobenzyl esterase 0.0207 0.0232 0.1446
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0261 0.0301 0.1899
Echinococcus multilocularis protein patched 0.0046 0.0025 0.0094
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0112 0.0109 0.0109
Schistosoma mansoni [ACP] S-malonyltransferase 0.0261 0.0301 0.1868
Schistosoma mansoni hypothetical protein 0.0044 0.0023 0.0079
Loa Loa (eye worm) acyl carrier protein 0.0417 0.0502 0.0555
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.1037 0.1297 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0011 0.0011
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.2716 0.3454 0.4216
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.1037 0.1297 0.1454
Plasmodium falciparum malonyl CoA-acyl carrier protein transacylase 0.0261 0.0301 0.2255
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0203 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0107 0.0104 0.0105
Schistosoma mansoni acyl carrier protein 0.0417 0.0502 0.3162
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0261 0.0301 0.0301
Onchocerca volvulus 0.0425 0.0512 0.0301
Leishmania major nuclear receptor binding factor-like protein 0.0257 0.0295 0.1878
Schistosoma mansoni gliotactin 0.0207 0.0232 0.1423
Leishmania major acyl carrier protein, putative 0.0417 0.0502 0.3199
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.1404 0.177 0.2084
Echinococcus granulosus acyl carrier protein mitochondrial 0.0417 0.0502 0.3214
Echinococcus granulosus geminin 0.0205 0.0229 0.1428
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0261 0.0301 0.2255
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.4115 0.525 0.6538
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.011 0.0107 0.0109
Echinococcus multilocularis acetylcholinesterase 0.1224 0.1538 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0038 0.0031
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0261 0.0301 0.0053
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0257 0.0295 0.2264
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.3866 0.4932 0.6185
Echinococcus multilocularis protein dispatched 1 0.0053 0.0033 0.0149
Echinococcus granulosus tachykinin peptides receptor 99D 0.0338 0.0401 0.2552
Brugia malayi Phosphopantetheine attachment site family protein 0.0417 0.0502 0.0502
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0634 0.078 0.0801
Plasmodium falciparum acyl carrier protein 0.0417 0.0502 0.3816
Schistosoma mansoni [ACP] S-malonyltransferase 0.0261 0.0301 0.1868
Loa Loa (eye worm) carboxylesterase 0.0207 0.0232 0.025
Leishmania major oxidoreductase-like protein 0.0257 0.0295 0.1878
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0257 0.0295 0.0173
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0425 0.0512 0.0366
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.4115 0.525 0.6598
Brugia malayi AMP-binding enzyme family protein 0.3866 0.4932 0.4932
Loa Loa (eye worm) hypothetical protein 0.011 0.0107 0.0109
Leishmania major zinc binding dehydrogenase-like protein 0.0257 0.0295 0.1878
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0257 0.0295 0.0173
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.4371 0.558 0.6998
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.3308 0.4214 0.5171
Schistosoma mansoni hypothetical protein 0.0372 0.0443 0.2786
Loa Loa (eye worm) hypothetical protein 0.0035 0.0012 0.0001
Echinococcus multilocularis carbonic anhydrase 0.011 0.0107 0.0633
Mycobacterium ulcerans polyketide synthase 0.4115 0.525 0.6567
Plasmodium falciparum ataxin-2 like protein, putative 0.0041 0.0019 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0112 0.0109 0.0635
Loa Loa (eye worm) hypothetical protein 0.2299 0.2918 0.3286
Schistosoma mansoni carbonic anhydrase-related 0.011 0.0107 0.0623
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.1037 0.1297 0.1394
Brugia malayi Carboxylesterase family protein 0.0207 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.6924 0.8858 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.4371 0.558 0.6998
Loa Loa (eye worm) hypothetical protein 0.0261 0.0301 0.0328
Toxoplasma gondii type I fatty acid synthase, putative 0.294 0.3742 0.6698
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0884 0.1101 0.7136
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.1037 0.1297 1
Schistosoma mansoni hypothetical protein 0.011 0.0107 0.0623
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0257 0.0295 0.1878
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.2679 0.3407 0.6097
Leishmania major carbonic anhydrase-like protein 0.0203 0.0227 0.144
Echinococcus granulosus Niemann Pick C1 protein 0.0153 0.0163 0.0996
Brugia malayi Muscleblind-like protein 0.0106 0.0103 0.0103
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0257 0.0295 0.2213
Echinococcus multilocularis carboxylesterase 5A 0.1224 0.1538 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0425 0.0512 0.0453
Toxoplasma gondii quinone oxidoreductase, putative 0.0257 0.0295 0.0511
Plasmodium falciparum carbonic anhydrase 0.011 0.0107 0.0752
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.4371 0.558 0.6973
Loa Loa (eye worm) hypothetical protein 0.0207 0.0232 0.025
Loa Loa (eye worm) hypothetical protein 0.0257 0.0295 0.0322
Echinococcus multilocularis carbonic anhydrase II 0.0203 0.0227 0.1417
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0112 0.0109 0.0646
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0025 0.0094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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