Detailed information for compound 1057679

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.524 | Formula: C24H25NO5S
  • H donors: 1 H acceptors: 3 LogP: 4.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(=O)oc2c1c1OC(C)(C)C=Cc1c(c2)c1ccc(cc1)NS(=O)(=O)C
  • InChi: 1S/C24H25NO5S/c1-5-6-16-13-21(26)29-20-14-19(15-7-9-17(10-8-15)25-31(4,27)28)18-11-12-24(2,3)30-23(18)22(16)20/h7-14,25H,5-6H2,1-4H3
  • InChiKey: ZVWJRUQJVYTMRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0676 0.5885
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0181 0.1623
Echinococcus granulosus transportin 1 0.0011 0.0052 0.0052
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0031 0.011
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0676 0.1208
Brugia malayi hypothetical protein 0.0016 0.0128 0.0451
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0676 0.6077
Brugia malayi nuclear receptor NHR-88 0.001 0.0031 0.011
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0108 0.0382
Brugia malayi Cytochrome P450 family protein 0.0013 0.0084 0.0297
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0031 0.0031
Leishmania major GTP-binding protein, putative 0.0021 0.021 0.1491
Echinococcus multilocularis translational activator gcn1 0.0011 0.0052 0.0052
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0015 0.0108 0.0049
Loa Loa (eye worm) hypothetical protein 0.0035 0.0437 0.0437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0031 0.0031
Plasmodium falciparum importin beta, putative 0.0058 0.0821 0.1559
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0173 0.1552
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0015 0.0108 0.0975
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0437 0.0737
Echinococcus granulosus RUN 0.0021 0.0212 0.0212
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0437 0.0437
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0031 0.0463
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0015 0.0108 0.0049
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0212 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0431 0.387
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0437 0.3633
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0437 0.0737
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0676 0.1208
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0183 0.2841 0.2841
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0015 0.0108 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.1113 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.021 0.1491
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0676 0.238
Leishmania major hypothetical protein, conserved 0.0024 0.0269 0.2042
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0031 0.0031
Onchocerca volvulus 0.0015 0.0108 0.1604
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0437 0.393
Loa Loa (eye worm) hypothetical protein 0.0015 0.0108 0.0108
Trypanosoma brucei unspecified product 0.0013 0.0085 0.0311
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0173 0.0859
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0015 0.0108 0.0067
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0642 0.5767
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0031 0.0031
Leishmania major cytochrome p450-like protein 0.0013 0.0084 0.0306
Brugia malayi Doublecortin family protein 0.0021 0.0212 0.0747
Loa Loa (eye worm) oxidoreductase 0.0015 0.0108 0.0108
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0676 0.1208
Mycobacterium ulcerans hypothetical protein 0.0049 0.0676 0.1208
Leishmania major DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Trichomonas vaginalis esterase, putative 0.0035 0.0437 0.393
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0642 0.5767
Schistosoma mansoni lipoxygenase 0.0125 0.1904 0.1904
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0212 0.0325
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0108 0.0108
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0212 0.0212
Toxoplasma gondii HEAT repeat-containing protein 0.0058 0.0821 0.8468
Loa Loa (eye worm) hypothetical protein 0.0076 0.1113 0.1113
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0031 0.011
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0108 0.0067
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.0397
Echinococcus multilocularis geminin 0.052 0.831 0.831
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0315 0.4985 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0269 0.0439
Entamoeba histolytica hypothetical protein 0.0034 0.0431 0.387
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.1113 1
Brugia malayi hypothetical protein 0.0021 0.0212 0.0747
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0031 0.0031
Echinococcus multilocularis transportin 1 0.0011 0.0052 0.0052
Schistosoma mansoni ran 0.0021 0.021 0.021
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0015 0.0108 0.0623
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0676 0.1208
Toxoplasma gondii propionate-CoA ligase 0.0015 0.0108 0.0623
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0437 0.393
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0173 0.0608
Leishmania major importin beta-1 subunit, putative 0.0047 0.0642 0.556
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0676 0.1164
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0031 0.0031
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0015 0.0108 0.0049
Echinococcus multilocularis ubiquitin specific protease 41 0.0076 0.1113 0.1113
Brugia malayi Cytochrome P450 family protein 0.0013 0.0084 0.0297
Leishmania major DNA polymerase eta, putative 0.0019 0.0181 0.1213
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Echinococcus granulosus dna polymerase kappa 0.0019 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0009 0.0023 0.0023
Onchocerca volvulus 0.0035 0.0437 0.6467
Schistosoma mansoni importin beta-1 0.0058 0.0821 0.0821
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0084 0.0084
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0437 0.393
Schistosoma mansoni transcription factor btf3 0.0034 0.0431 0.0431
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0015 0.0108 0.0115
Echinococcus multilocularis dna polymerase eta 0.0019 0.0181 0.0181
Schistosoma mansoni importin-beta 2 0.0011 0.0052 0.0052
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0676 0.1208
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0076 0.1113 0.1113
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0108 0.0533
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0015 0.0108 0.0049
Mycobacterium tuberculosis Conserved protein 0.0035 0.0437 0.0737
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0315 0.4985 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0181 0.0935
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0387 0.0387
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0108 0.0623
Echinococcus granulosus translational activator gcn1 0.0011 0.0052 0.0052
Schistosoma mansoni thyroid hormone receptor 0.001 0.0031 0.0031
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0437 0.0737
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0031 0.011
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Echinococcus granulosus dna polymerase eta 0.0019 0.0181 0.0181
Entamoeba histolytica hypothetical protein 0.0047 0.0642 0.5767
Echinococcus multilocularis importin 5 0.0011 0.0052 0.0052
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0084 0.0084
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0181 0.1213
Loa Loa (eye worm) importin-beta domain-containing protein 0.0011 0.0052 0.0052
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.1904 0.1904
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.021 0.1741
Loa Loa (eye worm) hypothetical protein 0.0019 0.0181 0.0181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0031 0.0031
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0108 0.0234
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0431 0.387
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0676 0.238
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0031 0.0031
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0031 0.0031
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0212 0.0212
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0108 0.0382
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0431 0.3367
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0032 0.0032
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0183 0.2841 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0031 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.096 0.096
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0212 0.0212
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.044 0.0743
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0076 0.1113 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.3481 0.6936
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0076 0.1113 0.3917
Brugia malayi Importin beta-1 subunit 0.0058 0.0821 0.289
Schistosoma mansoni ap endonuclease 0.0018 0.0173 0.0173
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0964 0.0964
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0031 0.011
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0031 0.011
Mycobacterium leprae Probable lipase LipE 0.0035 0.0437 0.0674
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0076 0.1113 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.021 0.021
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0315 0.4985 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0437 0.1539
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0031 0.0031
Echinococcus granulosus FTZ F1 alpha 0.001 0.0031 0.0031
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0437 0.393
Brugia malayi ecdysteroid receptor 0.001 0.0031 0.011
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.096 0.096
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.096 0.096
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.096 0.1802
Schistosoma mansoni hypothetical protein 0.0021 0.0212 0.0212
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.003 0.0104
Echinococcus granulosus geminin 0.052 0.831 0.831
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0015 0.0108 0.0049
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0181 0.0181
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.044 0.0743
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.021
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0031 0.0031
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0181 0.0935
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0031 0.0031
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0181 0.0181
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0173 0.0198
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0173 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0108 0.0108
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.021 0.1222
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.0473 0.0809
Echinococcus multilocularis transcription factor btf3 0.0034 0.0431 0.0431
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0437 0.0737
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Giardia lamblia DINP protein human, muc B family 0.0019 0.0181 0.0084
Brugia malayi CXXC zinc finger family protein 0.0032 0.0387 0.1362
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0269 0.1791
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0015 0.0108 0.0067
Schistosoma mansoni ran 0.0021 0.021 0.021
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0181 0.1213
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0183 0.2841 0.2841
Schistosoma mansoni DNA polymerase eta 0.0019 0.0181 0.0181
Schistosoma mansoni acetyl-CoA synthetase 0.0015 0.0108 0.0108
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0015 0.0108 0.0382
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0212 0.0212
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0437 0.3431
Loa Loa (eye worm) hypothetical protein 0.0035 0.0437 0.0437
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0676 0.1208
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0676 0.5885
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0181 0.0196
Brugia malayi RNA, U transporter 1 0.0166 0.257 0.9047
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0032 0.0032
Brugia malayi beta-lactamase 0.0035 0.0437 0.1539
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0108 0.0067
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0076 0.1113 0.1113
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0015 0.0108 0.0049
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0085 0.0311
Schistosoma mansoni hypothetical protein 0.0624 1 1
Schistosoma mansoni lipoxygenase 0.0087 0.1293 0.1293
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0183 0.2841 0.2841
Loa Loa (eye worm) hypothetical protein 0.0049 0.0676 0.0676
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.1113 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0076 0.1113 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.052 0.831 0.831
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0108 0.0234
Brugia malayi hypothetical protein 0.0021 0.0212 0.0747
Brugia malayi kap beta 3 protein 0.0011 0.0052 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0031 0.011
Loa Loa (eye worm) hypothetical protein 0.0021 0.0212 0.0212
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0015 0.0108 0.0067
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0181 0.0181
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0676 0.1223
Echinococcus multilocularis neuropeptide receptor A26 0.0455 0.7254 0.7254
Toxoplasma gondii exonuclease III APE 0.0018 0.0173 0.133
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0173 0.018
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.044 0.0743
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0315 0.4985 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0437 0.072
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.096 0.096
Schistosoma mansoni hypothetical protein 0.052 0.831 0.831
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Trypanosoma brucei unspecified product 0.0019 0.0181 0.1213
Echinococcus granulosus neuropeptide s receptor 0.0455 0.7254 0.7254
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Echinococcus multilocularis snurportin 1 0.0624 1 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0108 0.0234
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0031 0.011
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.021 0.1222
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0085 0.0311
Schistosoma mansoni hypothetical protein 0.0451 0.7201 0.7201
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0431 0.387
Schistosoma mansoni cpg binding protein 0.0032 0.0387 0.0387
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0181 0.0181
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0108 0.0533
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.096 0.1787
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.1904 0.1904
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.0473 0.0854
Onchocerca volvulus 0.0049 0.0676 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0015 0.0108 0.0533
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0676 0.1223
Echinococcus granulosus dnaJ subfamily B 0.0451 0.7201 0.7201
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0173 0.1139
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0084 0.0306
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.2841 0.2841
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0031 0.0031
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0181 0.0935
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0173 0.0245
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.096 0.1787
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0431 0.0431
Leishmania major basic transcription factor 3a, putative 0.0034 0.0431 0.357
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0269 0.0439
Brugia malayi steroid hormone receptor 0.001 0.0031 0.011
Schistosoma mansoni cpg binding protein 0.0033 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0037 0.0473 0.0473
Trypanosoma brucei unspecified product 0.0013 0.0085 0.0311
Schistosoma mansoni ap endonuclease 0.0018 0.0173 0.0173
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0015 0.0108 0.0067
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.005 0.005
Loa Loa (eye worm) beta-lactamase 0.0035 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0037 0.0473 0.0473
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0076 0.1113 0.1113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.044 0.0743
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0437 0.072
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0173 0.1139
Echinococcus granulosus transcription factor btf3 0.0034 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0037 0.0473 0.0473
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0031 0.0031
Schistosoma mansoni polycystin 1-related 0.0021 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0035 0.0437 0.0437
Echinococcus multilocularis neuropeptide s receptor 0.0455 0.7254 0.7254
Loa Loa (eye worm) hypothetical protein 0.0035 0.0437 0.0437
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0031 0.0463
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0181 0.1213
Echinococcus multilocularis dnaJ subfamily B 0.0451 0.7201 0.7201
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0437 0.0437
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0173 0.1552
Brugia malayi beta-NAC-like protein 0.0034 0.0431 0.1516
Brugia malayi nuclear hormone receptor 0.001 0.0031 0.011
Echinococcus granulosus cpg binding protein 0.0033 0.0416 0.0416
Loa Loa (eye worm) histone methyltransferase 0.001 0.0032 0.0032
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0076 0.1113 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0437 0.0674
Loa Loa (eye worm) kap beta 3 protein 0.0011 0.0052 0.0052
Onchocerca volvulus 0.0015 0.0108 0.1604
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0181 0.0181
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0031 0.011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0473 0.0473
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0108 0.0067
Mycobacterium tuberculosis Conserved protein 0.0035 0.0437 0.0737
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.021 0.0321
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.0321
Loa Loa (eye worm) hypothetical protein 0.0049 0.0676 0.0676
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0024 0.0269 0.0269
Brugia malayi hypothetical protein 0.0024 0.0269 0.0945
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0076 0.1113 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0676 0.1164
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0181 0.0636
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0676 0.6077
Schistosoma mansoni loxhd1 0.0021 0.0212 0.0212
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0015 0.0108 0.0108
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0437 0.0737
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0031 0.0031
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0035 0.0437 0.0437
Plasmodium vivax acetyl-CoA synthetase, putative 0.0015 0.0108 0.0115
Trypanosoma brucei importin beta-1 subunit, putative 0.0058 0.0821 0.7251
Schistosoma mansoni cpg binding protein 0.0033 0.0416 0.0416
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0108 0.0067
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0031 0.011
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0031 0.011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0437 0.0437
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0437 0.0737
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0031 0.0031
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0181 0.0181
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.005 0.005
Echinococcus multilocularis importin subunit beta 1 0.0058 0.0821 0.0821
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0642 0.5419
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0212 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0031 0.0031
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0181 0.1213
Mycobacterium ulcerans acetyl-CoA synthetase 0.0015 0.0108 0.0049
Brugia malayi beta-lactamase family protein 0.0035 0.0437 0.1539
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0431 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0031 0.011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0473 0.0473
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0076 0.1113 0.1113
Schistosoma mansoni hypothetical protein 0.0011 0.005 0.005
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0431 0.0768
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0269 0.2042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.2841 0.2841
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0173 0.0173
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0642 0.5767
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.096 0.1787
Plasmodium vivax importin-beta 2, putative 0.0058 0.0821 0.1559
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0108 0.0533
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0431 0.357
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0181 0.1623
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0031 0.0031
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0437 0.393
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0181 0.0935
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0437 0.0781
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0437 0.072
Loa Loa (eye worm) hypothetical protein 0.0058 0.0821 0.0821
Schistosoma mansoni hypothetical protein 0.0055 0.0763 0.0763
Echinococcus multilocularis RUN 0.0021 0.0212 0.0212
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.0739
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0031 0.0031
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0269 0.1791
Schistosoma mansoni rab6-interacting 0.0021 0.0212 0.0212
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0015 0.0108 0.0108
Onchocerca volvulus 0.0035 0.0437 0.6467
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0085 0.0311
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0173 0.0245
Echinococcus granulosus ubiquitin specific protease 41 0.0076 0.1113 0.1113
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0108 0.0108
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0173 0.0173
Trypanosoma brucei importin beta-1 subunit, putative 0.0058 0.0821 0.7251
Onchocerca volvulus 0.0032 0.0387 0.5723
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0031 0.0031
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0212 0.0212
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0084 0.0084
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0031 0.011
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.0473 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0676 0.5885
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.0473 0.0793
Mycobacterium ulcerans beta-lactamase 0.0035 0.0437 0.072
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0624 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0181 0.0214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.2841 0.2841
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0108 0.0382
Onchocerca volvulus 0.0021 0.0212 0.3138
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0181 0.1213
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0181 0.1623
Schistosoma mansoni rab6-interacting 0.0021 0.0212 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0031 0.011
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0076 0.1113 0.1113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0183 0.2841 0.2841
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0031 0.0031
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0015 0.0108 0.0067
Echinococcus granulosus importin subunit beta 1 0.0058 0.0821 0.0821
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0031 0.011
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0847 0.8755
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0108 0.0382
Schistosoma mansoni thyroid hormone receptor 0.001 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0212 0.0212
Echinococcus granulosus importin 5 0.0011 0.0052 0.0052
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0437 0.0437
Toxoplasma gondii ABC1 family protein 0.0035 0.0437 0.4242
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0181 0.0935
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0431 0.4169
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0181 0.0214
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0437 0.0437
Entamoeba histolytica HEAT repeat domain containing protein 0.0011 0.0052 0.0467
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0031 0.011
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0269 0.2385
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.021 0.021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0031 0.0031
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0431 0.3367
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0015 0.0108 0.0049
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0183 0.2841 0.2841
Echinococcus multilocularis cpg binding protein 0.0033 0.0416 0.0416
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0031 0.0463
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0076 0.1113 0.1113
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0212 0.0212
Leishmania major hypothetical protein, conserved 0.0035 0.0437 0.3633
Mycobacterium ulcerans lipase LipD 0.0035 0.0437 0.072
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0015 0.0108 0.0049
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0181 0.0636
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0676 0.238
Trichomonas vaginalis ran, putative 0.0021 0.021 0.1888
Echinococcus granulosus neuropeptide receptor A26 0.0455 0.7254 0.7254
Mycobacterium tuberculosis Conserved protein 0.0035 0.0437 0.0737
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0269 0.0439
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Treponema pallidum hypothetical protein 0.0315 0.4985 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0315 0.4985 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0076 0.1113 1
Trichomonas vaginalis hypothetical protein 0.0011 0.0052 0.0467
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0108 0.0049
Onchocerca volvulus 0.0035 0.0437 0.6467
Brugia malayi beta-lactamase family protein 0.0035 0.0437 0.1539
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0108 0.0382
Loa Loa (eye worm) hypothetical protein 0.0049 0.0676 0.0676
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.096 1
Schistosoma mansoni coup transcription factor 0.001 0.0031 0.0031
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0031 0.0031
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0108 0.0234
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0181 0.0196
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0676 0.1208
Onchocerca volvulus 0.0015 0.0108 0.1604
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0031 0.0031
Schistosoma mansoni nuclear hormone receptor 0.001 0.0031 0.0031
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0108 0.0533
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0676 0.6077
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0108 0.0975
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0031 0.0031
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.096 0.8563
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0431 0.387
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0437 0.0737
Onchocerca volvulus 0.001 0.0031 0.0463
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0173 0.0859
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0031 0.0031
Entamoeba histolytica Ran family GTPase 0.0021 0.021 0.1888
Onchocerca volvulus 0.0015 0.0108 0.1604
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0108 0.0975
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0181 0.1213
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0173 0.1552
Loa Loa (eye worm) hypothetical protein 0.0035 0.0437 0.0437
Onchocerca volvulus 0.0021 0.0212 0.3138
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0173 0.0173
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0015 0.0108 0.0067
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.0473 0.0854
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0437 0.3431
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0031 0.011
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.0031

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.3 uM Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. 19616431
IC50 (functional) = 27.2 uM Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT assay ChEMBL. 19616431

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19616431

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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