Detailed information for compound 1535445

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](NC/C=C\C[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/b8-7-/t22-,23-/m0/s1
  • InChiKey: FEOKNKSGMNNDFL-CHXUTICSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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