Detailed information for compound 1137229

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 678.629 | Formula: C32H35N6O9P
  • H donors: 5 H acceptors: 6 LogP: 1.94 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C([C@@H](NP(=O)(Oc1cccc2c1cccc2)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(N)[nH]c2=O)C)OCCc1ccccc1
  • InChi: 1S/C32H35N6O9P/c1-19(29(41)44-16-15-20-9-4-3-5-10-20)37-48(43,47-23-14-8-12-21-11-6-7-13-22(21)23)45-17-24-26(39)32(2,42)30(46-24)38-18-34-25-27(38)35-31(33)36-28(25)40/h3-14,18-19,24,26,30,39,42H,15-17H2,1-2H3,(H,37,43)(H3,33,35,36,40)/t19-,24+,26+,30+,32+,48?/m0/s1
  • InChiKey: JILMOYPOKMAALB-WHHJPMMWSA-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
Echinococcus granulosus lamin dm0 0.0032 0.1005 0.1005
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Loa Loa (eye worm) hypothetical protein 0.0031 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0027 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.002 0.055 0.055
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0026 0.003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0508 0.4028
Brugia malayi RNA binding protein 0.0144 0.5357 0.5357
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0208 0.039
Echinococcus granulosus tyrosine protein kinase Src64B 0.0008 0.0074 0.0074
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0085 0.0362
Echinococcus multilocularis tar DNA binding protein 0.0144 0.5357 0.5357
Leishmania major kinesin, putative 0.0021 0.0612 0.1679
Onchocerca volvulus Hexokinase homolog 0.0056 0.1943 0.6024
Brugia malayi calpain 7 0.0021 0.0612 0.0612
Schistosoma mansoni adapter molecule crk 0.0007 0.0038 0.0044
Loa Loa (eye worm) hypothetical protein 0.0011 0.0208 0.0208
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0242 0.028
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.081 0.081
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0076 0.2709 0.2709
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0808 0.2507
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0242 0.0242
Echinococcus multilocularis growth factor receptor bound protein 2 0.0007 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0007 0.0038 0.0038
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0085 0.0362
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0007 0.0038 0.0038
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.1197 1
Schistosoma mansoni intermediate filament proteins 0.0032 0.1005 0.1164
Loa Loa (eye worm) hypothetical protein 0.0008 0.0085 0.0085
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0026 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0242 0.0242
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0026
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0808 0.0808
Schistosoma mansoni DNA helicase recq5 0.0011 0.0208 0.024
Brugia malayi steroid hormone receptor 0.0012 0.0242 0.0242
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0074 0.0074
Brugia malayi Variant SH3 domain containing protein 0.0007 0.0038 0.0038
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0808 0.6508
Toxoplasma gondii hexokinase 0.0089 0.3225 1
Brugia malayi hypothetical protein 0.0006 0.0026 0.0026
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.1362 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0242 0.0242
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0612 0.1679
Loa Loa (eye worm) SRC-1 0.0008 0.0074 0.0074
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0242 0.0242
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0232 0.876 0.876
Echinococcus granulosus calpain 5 0.0021 0.0612 0.0612
Trypanosoma cruzi kinesin, putative 0.0021 0.0612 0.1679
Echinococcus granulosus lamin 0.0032 0.1005 0.1005
Echinococcus multilocularis calpain 5 0.0021 0.0612 0.0612
Loa Loa (eye worm) hypothetical protein 0.0015 0.0373 0.0373
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1854 0.1854
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0242 0.0749
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0373 0.0373
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0208 0.0208
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0008 0.0074 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0242 0.0242
Echinococcus granulosus hexokinase type 2 0.0089 0.3225 0.3225
Onchocerca volvulus 0.0051 0.1739 0.5392
Schistosoma mansoni growth factor receptor-bound protein 0.0007 0.0038 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0144 0.5357 0.6207
Brugia malayi TAR-binding protein 0.0144 0.5357 0.5357
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0008 0.0074 0.0074
Brugia malayi hexokinase type II 0.0028 0.0878 0.0878
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0072 0.2567 0.2567
Echinococcus granulosus calpain A 0.0076 0.2709 0.2709
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0242 0.0242
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0026 0.0026
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.1197 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0074 0.0074
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1362 0.4066
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0085 0.0085
Echinococcus granulosus calpain 7 C02 family 0.0021 0.0612 0.0612
Loa Loa (eye worm) hypothetical protein 0.0028 0.0878 0.0878
Echinococcus granulosus NCK adaptor protein 0.0007 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0264 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.1005 0.1005
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0612 0.1679
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1362 0.4066
Echinococcus granulosus survival motor neuron protein 1 0.0264 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.1362 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.1362 0.1578
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0085 0.0263
Brugia malayi nuclear receptor NHR-88 0.0012 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0134 0.4946 0.4946
Entamoeba histolytica protein kinase, putative 0.0021 0.0612 0.1899
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.055 0.3638
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0808 0.5666
Loa Loa (eye worm) hypothetical protein 0.002 0.055 0.055
Echinococcus multilocularis bloom syndrome protein 0.0027 0.081 0.081
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0469 0.1455
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1362 0.4066
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0808 0.2507
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0085 0.0098
Loa Loa (eye worm) hypothetical protein 0.002 0.055 0.055
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0612 0.1679
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0026
Schistosoma mansoni tar DNA-binding protein 0.0144 0.5357 0.6207
Schistosoma mansoni tyrosine kinase 0.0008 0.0074 0.0086
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Echinococcus granulosus hexokinase 0.0089 0.3225 0.3225
Entamoeba histolytica hexokinase 2 0.0089 0.3225 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0021 0.0612 0.1679
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.081 0.5675
Loa Loa (eye worm) TAR-binding protein 0.0144 0.5357 0.5357
Loa Loa (eye worm) hexokinase 0.0028 0.0849 0.0849
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0208 0.0208
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0074 0.0086
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0072 0.2567 0.2974
Loa Loa (eye worm) hypothetical protein 0.0027 0.0808 0.0808
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0085 0.0362
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0000013901 0.0000016106
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0074 0.0074
Onchocerca volvulus 0.0089 0.3225 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.0021 0.0612 0.0709
Loa Loa (eye worm) hypothetical protein 0.0061 0.2131 0.2131
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0242 0.0242
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0685 0.1911
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1854 0.1854
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0008 0.0085 0.0085
Loa Loa (eye worm) TK/ABL protein kinase 0.0232 0.876 0.876
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0612 0.0709
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0808 0.6508
Loa Loa (eye worm) hypothetical protein 0.0015 0.0351 0.0351
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0594 0.0688
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0007 0.0038 0.0044
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0242 0.0749
Treponema pallidum hexokinase (hxk) 0.0089 0.3225 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0242 0.028
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.1005 0.1005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0242 0.0242
Echinococcus granulosus tyrosine protein kinase Src42A 0.0008 0.0074 0.0074
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0085 0.0085
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0808 0.2304
Trypanosoma cruzi kinesin, putative 0.0021 0.0612 0.1679
Schistosoma mansoni growth factor receptor-bound protein 0.0007 0.0038 0.0044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0242 0.028
Schistosoma mansoni zinc finger protein 0.0006 0.0000013901 0.0000016106
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0085 0.0085
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0242 0.0242
Schistosoma mansoni nuclear receptor 0.0006 0.0000013901 0.0000016106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0242 0.0242
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0242 0.0242
Onchocerca volvulus 0.0008 0.0085 0.0263
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0208 0.0208
Echinococcus granulosus hexokinase 0.0089 0.3225 0.3225
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.1868 0.1868
Echinococcus multilocularis hexokinase type 2 0.0089 0.3225 0.3225
Onchocerca volvulus 0.0032 0.1005 0.3115
Onchocerca volvulus 0.0032 0.1005 0.3115
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.1362 0.5
Brugia malayi nuclear receptor RXR 0.0006 0.0026 0.0026
Brugia malayi Tyrosine-protein kinase abl-1 0.0095 0.3443 0.3443
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0208 0.0643
Leishmania major hexokinase, putative 0.0089 0.3225 1
Echinococcus granulosus intermediate filament protein 0.0032 0.1005 0.1005
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0085 0.0362
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0085 0.0085
Schistosoma mansoni lamin 0.0032 0.1005 0.1164
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0808 0.5666
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0242 0.0242
Trypanosoma brucei antigen, putative 0.0021 0.0612 0.1679
Trypanosoma brucei hexokinase 0.0089 0.3225 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0612 0.1679
Brugia malayi hypothetical protein 0.0006 0.0026 0.0026
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.055 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.055 0.055
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.1362 1
Echinococcus multilocularis NCK adaptor protein 0.0007 0.0038 0.0038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0508 0.4028
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0074 0.0074
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0508 0.4028
Loa Loa (eye worm) calpain family protein 1 0.0051 0.1739 0.1739
Echinococcus multilocularis musashi 0.0032 0.1005 0.1005
Loa Loa (eye worm) calpain 0.0021 0.0612 0.0612
Onchocerca volvulus 0.0056 0.1943 0.6024
Schistosoma mansoni hexokinase 0.0089 0.3225 0.3737
Echinococcus multilocularis hexokinase 0.0089 0.3225 0.3225
Trypanosoma cruzi hexokinase, putative 0.0089 0.3225 1
Brugia malayi Hexokinase family protein 0.0028 0.0849 0.0849
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0242 0.0242
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0242 0.0242
Trypanosoma brucei hexokinase, putative 0.0089 0.3225 1
Echinococcus granulosus tar DNA binding protein 0.0144 0.5357 0.5357
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.1362 0.1362
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1854 0.2149
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0808 0.2304
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Echinococcus granulosus growth factor receptor bound protein 2 0.0007 0.0038 0.0038
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0612 0.1679
Echinococcus granulosus bloom syndrome protein 0.0027 0.081 0.081
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0242 0.0242
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0074 0.0074
Brugia malayi intermediate filament protein 0.0032 0.1005 0.1005
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.1362 0.4223
Loa Loa (eye worm) oxidoreductase 0.0008 0.0085 0.0085
Brugia malayi Hexokinase family protein 0.0056 0.1943 0.1943
Plasmodium vivax hexokinase, putative 0.0089 0.3225 1
Brugia malayi SRC-1 0.0008 0.0074 0.0074
Brugia malayi calpain family protein 1 0.0072 0.2567 0.2567
Leishmania major hexokinase, putative 0.0089 0.3225 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0242 0.0242
Brugia malayi ecdysteroid receptor 0.0012 0.0242 0.0242
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0208 0.0643
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0242 0.0242
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0085 0.0362
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0085 0.0085
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0808 0.5666
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1854 0.2149
Schistosoma mansoni calpain (C02 family) 0.0021 0.0612 0.0709
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.5357 0.5357
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0612 0.1679
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0242 0.028
Schistosoma mansoni tyrosine kinase 0.0008 0.0074 0.0086
Schistosoma mansoni survival motor neuron protein 0.0054 0.1868 0.2164
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0242 0.0242
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1854 0.2149
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0026 0.0026
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0242 0.0242
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0008 0.0074 0.0074
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0808 0.5666
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.1854 0.1854
Echinococcus granulosus calpain A 0.0021 0.0612 0.0612
Onchocerca volvulus 0.0012 0.025 0.0775
Entamoeba histolytica hexokinase 1 0.0089 0.3225 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0076 0.2709 0.3139
Echinococcus multilocularis calpain 7 (C02 family) 0.0021 0.0612 0.0612
Brugia malayi Sex muscle abnormal protein 5 0.0007 0.0038 0.0038
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0242 0.0242
Echinococcus granulosus tyrosine protein kinase Lyn 0.0008 0.0074 0.0074
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0008 0.0074 0.0074
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0332 0.1935
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0208 0.0208
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0242 0.0242
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0085 0.0362
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0242 0.028
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0332 0.0787
Schistosoma mansoni tar DNA-binding protein 0.0144 0.5357 0.6207
Onchocerca volvulus 0.0089 0.3225 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0085 0.0362
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0085 0.0263
Echinococcus multilocularis lamin dm0 0.0032 0.1005 0.1005
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0478 0.125
Loa Loa (eye worm) hypothetical protein 0.0032 0.1005 0.1005
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0074 0.0074
Loa Loa (eye worm) hexokinase 0.0089 0.3225 0.3225
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0242 0.028
Onchocerca volvulus 0.0012 0.0242 0.0749
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0008 0.0074 0.0074
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0438 0.0438
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0808 0.5666
Loa Loa (eye worm) hypothetical protein 0.0051 0.1739 0.1739
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0028 0.0878 0.0878
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0612 0.1679
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0021 0.0612 0.1679
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0808 0.6635
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0242 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0242 0.0242
Schistosoma mansoni tar DNA-binding protein 0.0144 0.5357 0.6207
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0085 0.0362
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0008 0.0074 0.0074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0026 0.003
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0242 0.028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0242 0.0242
Loa Loa (eye worm) intermediate filament protein 0.0032 0.1005 0.1005
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0332 0.0787
Brugia malayi nuclear hormone receptor 0.0012 0.0242 0.0242
Echinococcus multilocularis survival motor neuron protein 1 0.0264 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0373 0.0373
Mycobacterium ulcerans hypothetical protein 0.0027 0.0808 0.5666
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0085 0.0362
Loa Loa (eye worm) hypothetical protein 0.0088 0.3189 0.3189
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0026
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0026 0.0026
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0076 0.2709 0.2709
Schistosoma mansoni calpain-7 (C02 family) 0.0021 0.0612 0.0709
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0242 0.0242
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0808 0.5666
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.1854 0.1854
Schistosoma mansoni coup transcription factor 0.0012 0.0242 0.028
Brugia malayi Tyrosine-protein kinase abl-1 0.0141 0.5226 0.5226
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0208 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1362 0.4066
Echinococcus granulosus calpain 0.0021 0.0612 0.0612
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0332 0.103
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0808 0.2507
Loa Loa (eye worm) hypothetical protein 0.0015 0.0351 0.0351
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0074 0.0074
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0076 0.2709 0.3139
Plasmodium falciparum acyl-CoA synthetase 0.002 0.055 0.1479
Echinococcus multilocularis calpain 0.0021 0.0612 0.0612
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0026
Schistosoma mansoni DNA helicase recq1 0.0011 0.0208 0.024
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0808 0.0808
Echinococcus multilocularis hexokinase 0.0089 0.3225 0.3225
Schistosoma mansoni calpain C (C02 family) 0.0021 0.0612 0.0709
Brugia malayi calpain 5 0.0021 0.0612 0.0612
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0242 0.0242
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.1362 0.1362
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0008 0.0074 0.0074
Echinococcus granulosus hexokinase 0.0089 0.3225 0.3225
Brugia malayi Variant SH3 domain containing protein 0.0007 0.0038 0.0038
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0242 0.028
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0242 0.0242
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.1362 0.4223
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0000013901 0.0000016106
Trypanosoma brucei calpain-like protein, putative 0.0021 0.0612 0.1679
Loa Loa (eye worm) hypothetical protein 0.0006 0.0026 0.0026
Echinococcus multilocularis calpain A 0.0076 0.2709 0.2709
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0438 0.0438
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0242 0.028
Echinococcus multilocularis hexokinase 0.0089 0.3225 0.3225
Schistosoma mansoni nck2/grb4 0.0007 0.0038 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0242 0.0242
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0242 0.0242
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0074 0.0074
Onchocerca volvulus 0.0054 0.1868 0.5792
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.081 0.5675
Plasmodium vivax calpain, putative 0.0021 0.0612 0.1679
Schistosoma mansoni tyrosine kinase 0.0008 0.0074 0.0086
Onchocerca volvulus 0.0008 0.0085 0.0263
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.5357 0.5357
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0008 0.0085 0.0263
Loa Loa (eye worm) hexokinase 0.0056 0.1943 0.1943
Trypanosoma brucei kinesin, putative 0.0021 0.0612 0.1679
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0208 0.0208
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0008 0.0074 0.0074
Echinococcus multilocularis tyrosine protein kinase Abl 0.0095 0.3443 0.3443
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0000013901 0.0000016106
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1854 0.1854
Loa Loa (eye worm) hexokinase 0.0089 0.3225 0.3225
Echinococcus multilocularis hypothetical protein 0.0021 0.0612 0.0612
Onchocerca volvulus 0.0027 0.0808 0.2507
Schistosoma mansoni lamin 0.0032 0.1005 0.1164
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.0085 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0242 0.0242
Onchocerca volvulus 0.0089 0.3225 1
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.055 0.1479
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0242 0.0242
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0242 0.028
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0074 0.0074
Schistosoma mansoni tar DNA-binding protein 0.0144 0.5357 0.6207
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0808 0.5666
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0074 0.0074
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0508 0.4028
Schistosoma mansoni tyrosine kinase 0.0008 0.0074 0.0086
Trypanosoma cruzi hexokinase, putative 0.0089 0.3225 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0808 0.0808
Brugia malayi calpain family protein 1 0.0072 0.2567 0.2567
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0242 0.0242
Schistosoma mansoni hypothetical protein 0.0054 0.1868 0.2164
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0242 0.0242
Echinococcus multilocularis calpain family protein 1, d 0.0051 0.1739 0.1739
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0242 0.028
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0242 0.0242
Brugia malayi Inositol-1 0.0041 0.1362 0.1362
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0026 0.0026
Loa Loa (eye worm) calpain family protein 1 0.0072 0.2567 0.2567
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0000013901 0.0000016106
Entamoeba histolytica calpain large subunit domain III containing protein 0.0021 0.0612 0.1899
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.1362 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Trypanosoma brucei hexokinase 0.0089 0.3225 1
Schistosoma mansoni nuclear receptor 0.0006 0.0000013901 0.0000016106
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0808 0.2304
Schistosoma mansoni inositol monophosphatase 0.0041 0.1362 0.1578
Echinococcus multilocularis lamin 0.0032 0.1005 0.1005
Brugia malayi Hexokinase family protein 0.0089 0.3225 0.3225
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0021 0.0612 0.1679
Echinococcus granulosus tyrosine protein kinase ABL1 0.0232 0.876 0.876
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0085 0.0362
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0242 0.0242
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0808 0.6635
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.055 0.439
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0242 0.0242
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0242 0.0242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0242 0.0242
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0000013901 0.0000016106
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0242 0.0242
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0242 0.0749
Loa Loa (eye worm) RecQ helicase 0.0027 0.081 0.081
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0085 0.0362
Loa Loa (eye worm) hypothetical protein 0.002 0.055 0.055
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0007 0.0038 0.0038
Brugia malayi hexokinase 0.0089 0.3225 0.3225
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0012 0.0242 0.0242
Schistosoma mansoni tyrosine kinase 0.0229 0.8631 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1739 0.1739
Loa Loa (eye worm) hypothetical protein 0.0072 0.2567 0.2567
Loa Loa (eye worm) inositol-1 0.0041 0.1362 0.1362
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0332 0.0787
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0242 0.028
Plasmodium falciparum hexokinase 0.0089 0.3225 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0085 0.0263
Loa Loa (eye worm) calpain 5 0.0021 0.0612 0.0612
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0242 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0242 0.0242
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0242 0.0242
Onchocerca volvulus 0.0008 0.0085 0.0263
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0021 0.0612 0.1679
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.0085 0.0085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1854 0.1854
Loa Loa (eye worm) hexokinase type II 0.0089 0.3225 0.3225
Loa Loa (eye worm) RNA binding protein 0.0144 0.5357 0.5357

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 100 uM Cytotoxicity against human HuH7 cells after 72 hrs by celltiter-glo assay ChEMBL. 20527890

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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