Detailed information for compound 1391460

Basic information

Technical information
  • TDR Targets ID: 1391460
  • Name: 2-[(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoat e
  • MW: 359.29 | Formula: C16H13N3O7
  • H donors: 1 H acceptors: 6 LogP: 2.41 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])NCCOC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C16H13N3O7/c20-15(11-1-5-13(6-2-11)18(22)23)17-9-10-26-16(21)12-3-7-14(8-4-12)19(24)25/h1-8H,9-10H2,(H,17,20)
  • InChiKey: UFLWLEFNZUTMQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-nitrobenzoic acid 2-[[(4-nitrophenyl)-oxomethyl]amino]ethyl ester
  • 4-nitrobenzoic acid 2-[(4-nitrobenzoyl)amino]ethyl ester
  • 2-[(4-nitrophenyl)carbonylamino]ethyl 4-nitrobenzoate
  • SR-01000631887-1
  • ZINC03131876

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
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
Brugia malayi hypothetical protein 0.001 0.0042 0.0042
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0678 0.581
Brugia malayi Cytochrome P450 family protein 0.0025 0.0517 0.052
Brugia malayi steroid hormone receptor 0.002 0.034 0.0342
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0044 0.1114 0.1109
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0738 0.6337
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0042 0.0042
Onchocerca volvulus Bile acid receptor homolog 0.002 0.034 0.2304
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.034 0.0334
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0012 0.0108
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0009 0.0006 0.0006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.034 0.0334
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0678 0.0677
Echinococcus multilocularis 0.0044 0.1114 0.1109
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.034 0.034
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0044 0.1114 0.1117
Echinococcus granulosus FK506 binding protein 2 0.0044 0.1114 0.1109
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0516 0.0514
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.034 0.0337
Loa Loa (eye worm) hypothetical protein 0.018 0.5527 0.5566
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0009 0.0006 0.0006
Echinococcus granulosus muscleblind protein 0.018 0.5527 0.5524
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0042 0.0036
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0738 0.6337
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0738 0.0738
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0044 0.1114 0.9626
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.0349 0.0346
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0044 0.1114 0.1117
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.034 0.034
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.034 0.0342
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0006 0.0006
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.1114 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.1114 0.1122
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0036
Loa Loa (eye worm) hypothetical protein 0.0051 0.1337 0.1342
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0738 0.6376
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0044 0.1114 0.0133
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0044 0.1114 0.9622
Onchocerca volvulus 0.0052 0.1396 0.9585
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0009 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.1114 0.1122
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0738 0.0738
Brugia malayi orphan nuclear receptor NR2E1 0.0009 0.0006 0.0006
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0006 0.0006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0994 0.0989
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0317 0.9926 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0042 0.0042
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0319 1 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0046 0.1188 0.1183
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.034 0.0334
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0517 0.0515
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0317 0.9926 1
Mycobacterium ulcerans polyketide synthase 0.0032 0.0738 0.0738
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0317 0.9926 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.1114 0.1122
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.034 0.0334
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.034 0.0342
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.034 0.034
Loa Loa (eye worm) FKBP5 protein 0.0317 0.9926 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0317 0.9926 1
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0006 0.0006
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.034 0.0334
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0036
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0044 0.1114 0.112
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0042 0.0036
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.034 0.0334
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.01 0.0864
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0614 0.0613
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.1157 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0678 0.0682
Schistosoma mansoni nuclear receptor 0.0009 0.0006 0.0006
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0317 0.9926 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0614 0.5305
Onchocerca volvulus 0.0044 0.1132 0.7762
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Brugia malayi ecdysteroid receptor 0.002 0.034 0.0342
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0317 0.9943 1
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.034 0.2304
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0044 0.1114 0.5
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0154 0.0149
Echinococcus multilocularis muscleblind protein 1 0.018 0.5527 0.5524
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.1114 1
Giardia lamblia Hypothetical protein 0.0044 0.1114 0.1122
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0317 0.9926 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.034 0.0342
Loa Loa (eye worm) hypothetical protein 0.0044 0.1114 0.1117
Echinococcus multilocularis fk506 binding protein 0.0317 0.9926 0.9926
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0317 0.9926 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.034 0.0342
Mycobacterium ulcerans hypothetical protein 0.0044 0.1114 0.1117
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0036
Schistosoma mansoni immunophilin 0.0319 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.034 0.0334
Schistosoma mansoni hypothetical protein 0.004 0.0994 0.0994
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.1157 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.034 0.0342
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.034 0.034
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.034 0.0342
Brugia malayi hypothetical protein 0.0009 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.1157 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.034 0.0334
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0044 0.1114 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.034 0.0334
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0317 0.9926 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.034 0.034
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0738 0.5894
Schistosoma mansoni thyroid hormone receptor 0.002 0.034 0.034
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0317 0.9926 0.9926
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0259 0.224
Brugia malayi nuclear receptor NHR-88 0.0009 0.0006 0.0006
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0044 0.1114 0.1122
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0994 0.0989
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0275 0.8594 0.8593
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.034 0.0337
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0405 0.3495
Brugia malayi Steroid receptor seven-up type 2 0.002 0.034 0.0342
Echinococcus multilocularis muscleblind protein 0.018 0.5527 0.5524
Onchocerca volvulus 0.0028 0.0614 0.4192
Brugia malayi hypothetical protein 0.001 0.0042 0.0042
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0678 0.5856
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.034 0.0334
Leishmania major fk506-binding protein 1-like protein 0.0317 0.9926 1
Brugia malayi nuclear receptor RXR 0.0009 0.0006 0.0006
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0042 0.0042
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0614 0.0617
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0398 0.2186
Loa Loa (eye worm) fatty acid synthase 0.003 0.0665 0.0664
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.1157 0.1161
Schistosoma mansoni zinc finger protein 0.0009 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.034 0.0342
Mycobacterium ulcerans polyketide synthase 0.003 0.0678 0.0677
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0012 0.0007
Onchocerca volvulus 0.002 0.034 0.2304
Schistosoma mansoni nuclear receptor nhr-48 0.0009 0.0006 0.0006
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0501 0.4329
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0319 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0648 0.5599
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0006 0.0006
Echinococcus granulosus FTZ F1 alpha 0.002 0.034 0.0334
Loa Loa (eye worm) hypothetical protein 0.018 0.5527 0.5566
Brugia malayi hypothetical protein 0.0009 0.0006 0.0006
Brugia malayi ecdysone receptor 0.0009 0.0006 0.0006
Trichomonas vaginalis immunophilin, putative 0.0317 0.9926 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0042 0.0036
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.1114 0.1122
Brugia malayi hypothetical protein 0.004 0.0994 0.1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0317 0.9926 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.034 0.034
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0738 0.6337
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.034 0.0342
Brugia malayi nuclear receptor NHR-67 0.0009 0.0006 0.0006
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0678 0.581
Loa Loa (eye worm) hypothetical protein 0.0274 0.8537 0.86
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.034 0.034
Brugia malayi nuclear hormone receptor 0.0009 0.0006 0.0006
Brugia malayi nuclear hormone receptor family member odr-7 0.0009 0.0006 0.0006
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0678 0.0677
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0648 0.5599
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.034 0.0334
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.034 0.0337
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.034 0.0337
Brugia malayi tailless protein 0.0009 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0044 0.1114 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.1114 0.1122
Loa Loa (eye worm) hypothetical protein 0.0017 0.0251 0.0247
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.1114 0.1122
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0678 0.0677
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0036
Brugia malayi conserved hypotetical protein 0.0009 0.0006 0.0006
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.034 0.0334
Leishmania major peptidylprolyl isomerase-like protein 0.0317 0.9926 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0319 1 1
Brugia malayi Muscleblind-like protein 0.018 0.5527 0.5559
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.1456 1
Echinococcus multilocularis FTZ F1 alpha 0.002 0.034 0.0334
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.034 0.0342
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0317 0.9926 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0516 0.4398
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0275 0.8594 0.8593
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0041 0.0356
Trichomonas vaginalis fk506-binding protein, putative 0.0044 0.1114 0.1122
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.1114 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.1114 0.0133
Onchocerca volvulus 0.0044 0.1114 0.7641
Mycobacterium ulcerans thioesterase 0.0025 0.0516 0.0514
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.1114 0.1122
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0488 0.0486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.034 0.0337
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0488 0.0486
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0516 0.4459
Trichomonas vaginalis fk506-binding protein, putative 0.0317 0.9926 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.1546 0.1555
Schistosoma mansoni coup transcription factor 0.002 0.034 0.034
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0317 0.9926 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.034 0.034
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0337 0.1517
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.034 0.0342
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.0349 0.2941
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0738 0.6376
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0678 0.5856
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0044 0.1114 0.1117
Trichomonas vaginalis fk506 binding protein, putative 0.0044 0.1114 0.1122
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0488 0.4155
Schistosoma mansoni immunophilin 0.0319 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.034 0.0342
Loa Loa (eye worm) steroid hormone receptor 0.002 0.034 0.0337
Trichomonas vaginalis fk506-binding protein, putative 0.0044 0.1114 0.1122
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.034 0.0342
Schistosoma mansoni nuclear receptor 0.0009 0.0006 0.0006
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.034 0.0342
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.034 0.0334
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0317 0.9926 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0317 0.9926 0.9926
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.034 0.0337
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0036
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0317 0.9926 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0317 0.9926 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.034 0.0337
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0006 0.0006
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0678 0.0677
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0044 0.1114 0.112
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.034 0.0342
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.034 0.0334
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0317 0.9926 0.9982
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.0349 0.0346
Brugia malayi nuclear receptor RXR 0.001 0.0042 0.0042
Schistosoma mansoni fk506 binding protein 0.0044 0.1114 0.1114
Schistosoma mansoni thyroid hormone receptor 0.002 0.034 0.034
Schistosoma mansoni hypothetical protein 0.0044 0.1114 0.1114
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0317 0.9926 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0044 0.1114 0.112
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0009 0.0006 0.0052
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0044 0.1114 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0042 0.0042
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.034 0.2304
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.034 0.0334
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0738 0.6376
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0678 0.5856
Brugia malayi nuclear hormone receptor family member nhr-6 0.0009 0.0006 0.0006
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0994 0.0994
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.034 0.0342
Brugia malayi nuclear receptor NHR-88 0.002 0.034 0.0342
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.034 0.0334
Loa Loa (eye worm) hypothetical protein 0.002 0.034 0.0337
Brugia malayi nuclear hormone receptor 0.002 0.034 0.0342
Schistosoma mansoni immunophilin 0.0275 0.8594 0.8594

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 8.21 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 11.4 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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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