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  

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

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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