Detailed information for compound 1617929

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 764.796 | Formula: C41H36N2O11S
  • H donors: 2 H acceptors: 4 LogP: 5.88 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C41H36N2O11S/c1-48-34-17-24(18-35(49-2)39(34)50-3)36-29-19-32-33(53-22-52-32)20-30(29)38(31-21-51-41(45)37(31)36)42-40(44)23-9-11-25(12-10-23)43-55(46,47)28-15-13-27(14-16-28)54-26-7-5-4-6-8-26/h4-20,31,36-38,43H,21-22H2,1-3H3,(H,42,44)/t31-,36+,37-,38+/m0/s1
  • InChiKey: ANVLVZUFYOODDX-AUUUEPFHSA-N  

Network

Hover on a compound node to display the structore

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
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0323 0.0845
Leishmania major hypothetical protein, conserved 0.0096 0.336 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0751 0.6357
Brugia malayi hypothetical protein 0.0009 0.0036 0.0018
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0364 0.3077
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Brugia malayi hypothetical protein 0.001 0.0077 0.0059
Schistosoma mansoni transcription factor LCR-F1 0.0103 0.3629 0.3617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0131 0.4696 0.4687
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0009 0.0036 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.1438 0.1422
Echinococcus multilocularis cysteine protease 0.0016 0.0323 0.0306
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0036 0.0018
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0096 0.336 0.3348
Mycobacterium ulcerans thioesterase TesA 0.0022 0.0523 0.443
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0077 0.0059
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0049 0.158 0.1565
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.1883 0.558
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.042 0.0402
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0032 0.0902 0.0869
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0144 0.5205 0.5187
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.001 0.0073 0.0055
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0751 0.6357
Mycobacterium ulcerans thioesterase 0.0022 0.0523 0.443
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0103 0.3629 0.3617
Brugia malayi Cathepsin L-like precursor 0.0016 0.0323 0.0306
Brugia malayi nuclear receptor NHR-67 0.0009 0.0036 0.0018
Brugia malayi Cytochrome P450 family protein 0.0013 0.0198 0.018
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.1438 0.1422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Loa Loa (eye worm) hypothetical protein 0.0144 0.5205 0.5187
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0033 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0047 0.1488 0.1457
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.042 0.0402
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.042 0.0402
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0689 0.5834
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.042 0.0385
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0689 0.5834
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.042 0.0385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0115 0.0097
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0642 0.5433
Loa Loa (eye worm) hypothetical protein 0.0098 0.3461 0.3437
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0131 0.4696 0.4687
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.042 0.0402
Brugia malayi Cathepsin L-like precursor 0.0011 0.0115 0.0097
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0036 0.0018
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0642 0.0625
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0028 0.0751 0.6357
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.1438 0.1422
Loa Loa (eye worm) hypothetical protein 0.001 0.0077 0.0041
Leishmania major hypothetical protein, conserved 0.0096 0.336 1
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.042 0.0385
Onchocerca volvulus Bile acid receptor homolog 0.0019 0.042 0.0385
Brugia malayi hypothetical protein 0.0103 0.3629 0.3617
Plasmodium vivax vivapain-2 0.0016 0.0323 0.0306
Brugia malayi Cathepsin L-like precursor 0.0011 0.0115 0.0097
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0323 0.0845
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0131 0.4696 0.4677
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.0036 0.0306
Brugia malayi tailless protein 0.0009 0.0036 0.0018
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.042 0.0385
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0402 0.0385
Loa Loa (eye worm) hypothetical protein 0.0019 0.0402 0.0367
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.001 0.0073 0.0563
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Loa Loa (eye worm) hypothetical protein 0.001 0.0077 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.042 0.0402
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0077 0.0059
Mycobacterium ulcerans hypothetical protein 0.0025 0.0642 0.5433
Echinococcus granulosus Zinc finger RanBP2 type 0.0096 0.336 0.3348
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0642 0.5433
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0323 0.0306
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0323 0.0306
Schistosoma mansoni ferritin light chain 0.0009 0.0033 0.0015
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0198 0.0538
Mycobacterium leprae Polyketide synthase Pks13 0.0039 0.1181 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0009 0.0036 0.0018
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.1438 0.1422
Brugia malayi nuclear hormone receptor 0.0019 0.042 0.0402
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0077 0.0059
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0198 0.0538
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0642 0.1404
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0323 0.0306
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0017 0.0352 0.2941
Schistosoma mansoni zinc finger protein 0.0009 0.0036 0.0018
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Onchocerca volvulus 0.0016 0.0323 0.0288
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.001 0.0073 0.0616
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.042 0.0385
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0033 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.042 0.0402
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.1578 0.4667
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0642 0.5433
Echinococcus granulosus thyroid hormone receptor alpha 0.0009 0.0036 0.0018
Trypanosoma cruzi WLM domain containing protein, putative 0.0096 0.336 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0642 0.1404
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0039 0.1181 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.042 0.0402
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0495 0.4155
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0131 0.4696 0.4687
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0096 0.336 0.3348
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0036 0.0018
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0323 0.0288
Brugia malayi orphan nuclear receptor NR2E1 0.0009 0.0036 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.042 0.0402
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Leishmania major cathepsin L-like protease 0.0063 0.2091 0.5986
Echinococcus multilocularis cysteine protease 0.0016 0.0323 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.042 0.0402
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0742 0.2006
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.001 0.0073 0.0616
Echinococcus multilocularis GPCR, family 2 0.0046 0.1438 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Brugia malayi Latrophilin receptor protein 2 0.0046 0.1438 0.1422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.042 0.0385
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0409 0.3461
Echinococcus granulosus expressed protein 0.0009 0.0033 0.0015
Onchocerca volvulus 0.0019 0.042 0.0385
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0096 0.336 0.3348
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.042 0.0402
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0025 0.0659 0.5576
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.042 0.0402
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.042 0.0402
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0323 0.0306
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.001 0.0073 0.0616
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.2091 0.6202
Schistosoma mansoni RNA binding protein 0.0096 0.336 0.3348
Mycobacterium leprae Probable polyketide synthase Pks1 0.0028 0.0751 0.6337
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0096 0.336 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0096 0.336 0.3348
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0096 0.336 0.3336
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0642 0.0625
Toxoplasma gondii type I fatty acid synthase, putative 0.0029 0.079 0.0567
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0096 0.336 0.3348
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.042 0.0402
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0402 0.3405
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0026 0.0689 0.581
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Loa Loa (eye worm) hypothetical protein 0.0046 0.1438 0.1406
Entamoeba histolytica hypothetical protein 0.0103 0.3629 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0039 0.1181 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0079
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0642 0.5433
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.042 0.0402
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0642 0.0625
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0077 0.0059
Loa Loa (eye worm) hypothetical protein 0.0019 0.0402 0.0367
Schistosoma mansoni ferritin 0.0009 0.0033 0.0015
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0642 0.5433
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Schistosoma mansoni zinc finger protein 0.0096 0.336 0.3348
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0198 0.1676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0028 0.0751 0.6337
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0131 0.4696 0.4687
Onchocerca volvulus Protein ultraspiracle homolog 0.0019 0.042 0.0385
Onchocerca volvulus 0.0025 0.0642 0.0608
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0096 0.336 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0323 0.0306
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0096 0.336 0.3348
Loa Loa (eye worm) hypothetical protein 0.0025 0.0642 0.0608
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0019 0.042 0.0385
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0096 0.336 1
Brugia malayi nuclear receptor RXR 0.001 0.0077 0.0059
Loa Loa (eye worm) hypothetical protein 0.0019 0.0402 0.0367
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0642 0.1727
Brugia malayi nuclear receptor NHR-88 0.0019 0.042 0.0402
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0402 0.0385
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0009 0.0036 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0077 0.0059
Brugia malayi Calcitonin receptor-like protein seb-1 0.0144 0.5205 0.5196
Loa Loa (eye worm) hypothetical protein 0.0025 0.0642 0.0608
Leishmania major hypothetical protein, conserved 0.0096 0.336 1
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0039 0.0021
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0028 0.0751 0.6337
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0323 0.0306
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0096 0.336 0.3348
Brugia malayi Cathepsin L-like precursor 0.0016 0.0323 0.0306
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.001 0.0073 0.0616
Brugia malayi ecdysone receptor 0.0009 0.0036 0.0018
Loa Loa (eye worm) cysteine protease 0.0016 0.0323 0.0288
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0036 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0077 0.0041
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.042 0.0402
Loa Loa (eye worm) fatty acid synthase 0.0026 0.0676 0.0642
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0152 0.0116
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0077 0.0059
Onchocerca volvulus 0.0016 0.0323 0.0288
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0323 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.042 0.0402
Loa Loa (eye worm) hypothetical protein 0.0016 0.0323 0.0288
Schistosoma mansoni nuclear receptor nhr-48 0.0009 0.0036 0.0018
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.042 0.0402
Brugia malayi hypothetical protein 0.0009 0.0036 0.0018
Loa Loa (eye worm) hypothetical protein 0.001 0.0077 0.0041
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0036 0.0018
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.1438 0.1406
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0751 0.6357
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0096 0.336 0.32
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0028 0.0751 0.6357
Leishmania major cathepsin L-like protease 0.0063 0.2091 0.5986
Brugia malayi YY1-associated factor 2 0.0096 0.336 0.3348
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Trypanosoma cruzi WLM domain containing protein, putative 0.0096 0.336 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Brugia malayi latrophilin 2 splice variant baaae 0.0098 0.3461 0.3449
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.2091 0.6202
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0642 0.5433
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.042 0.0402
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.042 0.0402
Onchocerca volvulus 0.0011 0.0115 0.0079
Brugia malayi Cathepsin L-like precursor 0.0016 0.0323 0.0306
Onchocerca volvulus 0.0016 0.0323 0.0288
Loa Loa (eye worm) hypothetical protein 0.0096 0.336 0.3336
Loa Loa (eye worm) hypothetical protein 0.0015 0.0252 0.0216
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0033 0.0279
Entamoeba histolytica hypothetical protein 0.0103 0.3629 1
Brugia malayi nuclear hormone receptor 0.0009 0.0036 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Mycobacterium ulcerans polyketide synthase 0.0026 0.0689 0.5834
Onchocerca volvulus 0.0016 0.0323 0.0288
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.042 0.0402
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0036 0.0018
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Mycobacterium ulcerans polyketide synthase 0.0028 0.0751 0.6357
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.042 0.0385
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0144 0.5205 0.5196
Loa Loa (eye worm) ctsf protein 0.0016 0.0323 0.0288
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.042 0.0402
Trichomonas vaginalis ferritin, putative 0.0009 0.0033 0.0015
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0902 0.0886
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.042 0.0402
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0036 0.0018
Brugia malayi Cathepsin L-like precursor 0.0016 0.0323 0.0306
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0323 0.0306
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0096 0.336 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0036 0.0018
Leishmania major cathepsin L-like protease 0.0016 0.0323 0.0396
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0026 0.0689 0.5834
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Schistosoma mansoni thyroid hormone receptor 0.0019 0.042 0.0402
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0033 0.0279
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0323 0.0288
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0026 0.0689 0.0672
Brugia malayi nuclear hormone receptor family member nhr-6 0.0009 0.0036 0.0018
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.2091 0.6202
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.042 0.0402
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0402 0.3405
Echinococcus granulosus ferritin 0.0009 0.0033 0.0015
Trypanosoma brucei hypothetical protein, conserved 0.0096 0.336 1
Schistosoma mansoni ferritin 0.0009 0.0033 0.0015
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0642 0.5433
Brugia malayi steroid hormone receptor 0.0019 0.042 0.0402
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0508 0.4299
Schistosoma mansoni hypothetical protein 0.0046 0.1438 0.1422
Echinococcus multilocularis nuclear receptor nhr 48 0.0009 0.0036 0.0018
Entamoeba histolytica cysteine protease, putative 0.0016 0.0323 0.0845
Entamoeba histolytica hypothetical protein 0.0103 0.3629 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Echinococcus granulosus nuclear receptor nhr 48 0.0009 0.0036 0.0018
Echinococcus granulosus zinc finger protein Ran binding 0.0096 0.336 0.3348
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.042 0.0402
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0642 0.5433
Onchocerca volvulus 0.0014 0.0227 0.0192
Brugia malayi ecdysteroid receptor 0.0019 0.042 0.0402
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.001 0.0073 0.0616
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0323 0.0288
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0096 0.336 0.3348
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Schistosoma mansoni hypothetical protein 0.0046 0.1438 0.1422
Leishmania major cathepsin L-like protease 0.0016 0.0323 0.0396
Schistosoma mansoni ferritin 0.0009 0.0033 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.042 0.0385
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.042 0.0402
Loa Loa (eye worm) hypothetical protein 0.0096 0.336 0.3336
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0642 0.1727
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0033 0.0279
Echinococcus multilocularis zinc finger protein Ran binding 0.0096 0.336 0.3348
Onchocerca volvulus 0.0096 0.336 0.3336
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0115 0.0269
Toxoplasma gondii ran binding protein 0.0096 0.336 0.32
Leishmania major hypothetical protein, conserved 0.0096 0.336 1
Brugia malayi Cytochrome P450 family protein 0.0013 0.0198 0.018
Onchocerca volvulus 0.0053 0.1704 0.1674
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0323 0.0396
Schistosoma mansoni nuclear hormone receptor 0.0019 0.042 0.0402
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0017 0.0352 0.2981
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Onchocerca volvulus 0.0016 0.0323 0.0288
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.042 0.0402
Entamoeba histolytica hypothetical protein 0.0103 0.3629 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0689 0.5834
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0007 0.0056
Plasmodium vivax vivapain-2 0.0016 0.0323 0.0306
Brugia malayi hypothetical protein 0.001 0.0077 0.0059
Schistosoma mansoni ferritin light chain 0.0009 0.0033 0.0015
Schistosoma mansoni nuclear receptor 0.0009 0.0036 0.0018
Leishmania major cathepsin L-like protease 0.0063 0.2091 0.5986
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0364 0.3077
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0198 0.0162
Echinococcus granulosus ring and YY1 binding protein 0.0096 0.336 0.3348
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0323 0.0288
Loa Loa (eye worm) hypothetical protein 0.0096 0.336 0.3336
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0642 0.5407
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0079
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0689 0.5834
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0323 0.0306
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.042 0.0402
Loa Loa (eye worm) hypothetical protein 0.001 0.0077 0.0041
Brugia malayi conserved hypotetical protein 0.0009 0.0036 0.0018
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0115 0.0097
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0323 0.0288
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0077 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.042 0.0402
Schistosoma mansoni thyroid hormone receptor 0.0019 0.042 0.0402
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.001 0.0073 0.0616
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0323 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.042 0.0402
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0009 0.0036 0.0018
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0323 0.0306
Echinococcus granulosus cathepsin l1 0.0011 0.0115 0.0097
Mycobacterium ulcerans polyketide synthase Pks13 0.0039 0.1181 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.042 0.0402
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0032 0.0902 0.7636
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0198 0.0162
Echinococcus granulosus cathepsin l1 0.0016 0.0323 0.0306
Trypanosoma cruzi hypothetical protein, conserved 0.0096 0.336 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0131 0.4696 0.4687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0026 0.0689 0.581
Echinococcus multilocularis ring and YY1 binding protein 0.0096 0.336 0.3348
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0009 0.0036 0.0018
Leishmania major cathepsin L-like protease 0.0016 0.0323 0.0396
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.042 0.0402
Onchocerca volvulus 0.0032 0.0902 0.0869
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0096 0.336 1
Leishmania major cathepsin L-like protease 0.0016 0.0323 0.0396
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.042 0.0402
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0402 0.0171
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0323 0.0306
Loa Loa (eye worm) hypothetical protein 0.0019 0.0402 0.0367
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0689 0.5834
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0131 0.4696 0.4687
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.026 0.2199
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0642 0.1404
Onchocerca volvulus 0.0016 0.0323 0.0288
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.034 0.0106
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.042 0.0402
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0033 0.0279
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.042 0.0402
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0131 0.4696 0.4687
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.2091 0.6202
Brugia malayi nuclear receptor RXR 0.0009 0.0036 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.042 0.0402
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Loa Loa (eye worm) hypothetical protein 0.0096 0.336 0.3336
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.001 0.0073 0.0616
Loa Loa (eye worm) hypothetical protein 0.0019 0.042 0.0385
Schistosoma mansoni hypothetical protein 0.0046 0.1438 0.1422
Trypanosoma brucei hypothetical protein, conserved 0.0096 0.336 1
Schistosoma mansoni nuclear receptor 0.0009 0.0036 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0323 0.0306
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.001 0.0073 0.0616
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.0523 0.443
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Onchocerca volvulus 0.0016 0.0323 0.0288
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.042 0.0402
Leishmania major hypothetical protein, conserved 0.0096 0.336 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0495 0.4188
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0198 0.0538
Loa Loa (eye worm) fibroinase 0.0016 0.0323 0.0288
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.042 0.0402
Schistosoma mansoni hypothetical protein 0.0103 0.3629 0.3617
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0096 0.336 1
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0036 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.042 0.0402
Schistosoma mansoni hypothetical protein 0.0096 0.336 0.3348
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0009 0.0036 0.0018
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0009 0.0036 0.0018
Loa Loa (eye worm) hypothetical protein 0.0025 0.0642 0.0608
Schistosoma mansoni hypothetical protein 0.0046 0.1438 0.1422
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0323 0.0306
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0115 0.0097
Brugia malayi Cathepsin L-like precursor 0.0016 0.0323 0.0306
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.042 0.0402
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0323 0.0306
Schistosoma mansoni fusion 0.0096 0.336 0.3348
Schistosoma mansoni ferritin 0.0009 0.0033 0.0015
Echinococcus multilocularis expressed protein 0.0009 0.0033 0.0015
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0131 0.4696 0.4687
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0011 0.0096 0.0817
Echinococcus granulosus FTZ F1 alpha 0.0019 0.042 0.0402
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0642 0.5433
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0036 0.0018
Onchocerca volvulus 0.0096 0.336 0.3336
Loa Loa (eye worm) hypothetical protein 0.0096 0.336 0.3336
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.0523 0.4398
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0096 0.336 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0033 0.0224
Schistosoma mansoni hypothetical protein 0.0098 0.3461 0.3449
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0323 0.0306
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0323 0.0306
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.042 0.0402
Trypanosoma cruzi hypothetical protein, conserved 0.0096 0.336 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0198 0.0162
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0323 0.0913
Loa Loa (eye worm) hypothetical protein 0.0019 0.0402 0.0367
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0364 0.3077
Trypanosoma cruzi hypothetical protein, conserved 0.0096 0.336 1
Mycobacterium ulcerans acyl-CoA synthetase 0.001 0.0073 0.0616
Loa Loa (eye worm) hypothetical protein 0.0045 0.1404 0.1373
Brugia malayi nuclear receptor NHR-88 0.0009 0.0036 0.0018
Mycobacterium ulcerans polyketide synthase Pks9 0.0017 0.0352 0.2981
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0642 0.5407
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0103 0.3629 0.3617
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0079
Echinococcus multilocularis ferritin 0.0009 0.0033 0.0015
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0007 0.0056
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Leishmania major cathepsin L-like protease 0.0016 0.0323 0.0396
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.2091 0.6202
Onchocerca volvulus 0.0096 0.336 0.3336
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0025 0.0659 0.5576
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0364 0.3077
Onchocerca volvulus 0.0096 0.336 0.3336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0115 0.0097
Brugia malayi cathepsin L-like precursor 0.0011 0.0115 0.0097
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.042 0.0402
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0689 0.5834
Echinococcus granulosus GPCR family 2 0.0046 0.1438 0.1422
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0495 0.4188
Schistosoma mansoni apoferritin-2 0.0009 0.0033 0.0015
Schistosoma mansoni TRABID protein (C64 family) 0.0096 0.336 0.3348
Schistosoma mansoni apoferritin-2 0.0009 0.0033 0.0015
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.1438 0.1422
Schistosoma mansoni coup transcription factor 0.0019 0.042 0.0402
Toxoplasma gondii cathepsin CPL 0.0016 0.0323 0.009
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.042 0.0402

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 2 uM Growth inhibition of human HOP62 cells after 48 hrs by sulforhodamine B assay ChEMBL. 22364746
GI50 (functional) = 2.01 uM Growth inhibition of human KB cells after 48 hrs by sulforhodamine B assay ChEMBL. 22364746
GI50 (functional) = 2.7 uM Growth inhibition of human A549 cells after 48 hrs by sulforhodamine B assay ChEMBL. 22364746
GI50 (functional) = 2.9 uM Growth inhibition of human ZR-75-1 cells after 48 hrs by sulforhodamine B assay ChEMBL. 22364746

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.