Detailed information for compound 1602345

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 771.034 | Formula: C51H62O6
  • H donors: 0 H acceptors: 3 LogP: 13.5 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=C[C@@H](C[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2[C@@H](OC(=O)c2ccccc2)C=C2[C@H]1CC[C@@H](C2(C)C)OC(=O)c1ccccc1)C)C)C)OC(=O)c1ccccc1)C
  • InChi: 1S/C51H62O6/c1-33(2)30-38(55-45(52)35-18-12-9-13-19-35)31-34(3)39-26-27-51(8)44-42(56-46(53)36-20-14-10-15-21-36)32-41-40(49(44,6)28-29-50(39,51)7)24-25-43(48(41,4)5)57-47(54)37-22-16-11-17-23-37/h9-23,30,32,34,38-40,42-44H,24-29,31H2,1-8H3/t34-,38+,39-,40-,42+,43+,44-,49+,50-,51+/m1/s1
  • InChiKey: CBPYGZZVJLABTM-MXHWHTTGSA-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
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0039 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1818 0.9007 0.9006
Echinococcus granulosus peregrin 0.0021 0.0053 0.0051
Plasmodium falciparum JmjC domain-containing protein, putative 0.0014 0.0019 0.0553
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0138 0.0136
Schistosoma mansoni protein phosphatase 2C 0.0014 0.0019 0.0017
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2017 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.2017 1 1
Echinococcus granulosus jumonji domain containing 1A 0.0014 0.0019 0.0017
Echinococcus multilocularis lysosomal protective protein 0.2017 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0422 0.042
Echinococcus granulosus lysosomal protective protein 0.2017 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2017 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0376 0.1825 0.1823
Schistosoma mansoni glutaminase 0.0194 0.0915 0.0913
Loa Loa (eye worm) hypothetical protein 0.0119 0.0545 0.053
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0018 0.0039 0.025
Brugia malayi glutaminase DH11.1 0.0194 0.0915 0.0898
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.0853 0.0818
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2017 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0119 0.0545 0.0527
Loa Loa (eye worm) apoptosis regulator protein 0.0059 0.0243 0.0226
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0039 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0014 0.0019 0.0003
Echinococcus multilocularis phd:f box containing protein 0.0014 0.0019 0.0017
Schistosoma mansoni hypothetical protein 0.0243 0.116 0.1158
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0014 0.0019 0.0017
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0059 0.0243 0.024
Brugia malayi MH2 domain containing protein 0.0056 0.023 0.0211
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0039 0.025
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0017 0.0033 0.003
Echinococcus granulosus jumonji domain containing protein 0.0029 0.0093 0.0091
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0067 0.0048
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0026 0.0007
Schistosoma mansoni phosphatidylserine receptor 0.0014 0.0019 0.0017
Schistosoma mansoni jumonji domain containing protein 0.0014 0.0019 0.0017
Echinococcus multilocularis dna polymerase eta 0.0015 0.0022 0.002
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0026 0.0023
Leishmania major DNA polymerase eta, putative 0.0015 0.0022 0.0003
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0422 0.042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0448 0.0446
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0448 0.0446
Brugia malayi hypothetical protein 0.0023 0.0067 0.0048
Schistosoma mansoni phd/f-box containing protein 0.0014 0.0019 0.0017
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0053 0.7226
Leishmania major DNA polymerase kappa, putative 0.0015 0.0022 0.0003
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.2017 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0178 0.0838 0.0835
Loa Loa (eye worm) hypothetical protein 0.0092 0.041 0.0394
Echinococcus granulosus PHD finger protein rhinoceros 0.0021 0.0053 0.0051
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0026 0.0009
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0381 0.1849 0.1847
Loa Loa (eye worm) hypothetical protein 0.0178 0.0838 0.0822
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0448 0.0446
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0119 0.0545 0.053
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0039 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0039 0.002
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0026 0.0007
Echinococcus granulosus neuropeptide receptor A26 0.0897 0.4418 0.4417
Brugia malayi hypothetical protein 0.0092 0.041 0.0391
Brugia malayi jmjC domain containing protein 0.0052 0.021 0.0191
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0026 0.1376
Loa Loa (eye worm) glutaminase 2 0.0194 0.0915 0.09
Schistosoma mansoni hypothetical protein 0.0017 0.0033 0.003
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0023
Trichomonas vaginalis glutaminase, putative 0.0194 0.0915 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0014 0.0019 0.0003
Echinococcus granulosus GPCR family 2 0.0038 0.0138 0.0136
Echinococcus granulosus lysine specific demethylase 6a 0.0014 0.0019 0.0017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0022 0.0003
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.0022 0.0066
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1818 0.9007 0.9006
Onchocerca volvulus Alhambra homolog 0.0021 0.0053 0.0014
Loa Loa (eye worm) hypothetical protein 0.0018 0.0039 0.0023
Loa Loa (eye worm) jmjC domain-containing protein 0.0014 0.0019 0.0003
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0021 0.0053 0.0051
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0023
Schistosoma mansoni hypothetical protein 0.0082 0.0357 0.0355
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0067 1
Brugia malayi N-terminal motif family protein 0.0181 0.0853 0.0836
Loa Loa (eye worm) transcription factor SMAD2 0.0056 0.023 0.0213
Schistosoma mansoni hypothetical protein 0.0059 0.0243 0.024
Loa Loa (eye worm) hypothetical protein 0.0038 0.0138 0.0122
Schistosoma mansoni jumonji/arid domain-containing protein 0.0052 0.021 0.0207
Loa Loa (eye worm) hypothetical protein 0.0018 0.0039 0.0023
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0013 0.0017 0.5
Brugia malayi hypothetical protein 0.0178 0.0838 0.082
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0357 0.0338
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.0448 0.0433
Trypanosoma brucei unspecified product 0.0015 0.0022 0.0022
Loa Loa (eye worm) glutaminase 0.0194 0.0915 0.09
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0014 0.0019 0.0017
Brugia malayi Bromodomain containing protein 0.0021 0.0053 0.0034
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0013 0.0017 0.139
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0138 0.0136
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0022 0.0003
Echinococcus multilocularis muscleblind protein 1 0.0113 0.0511 0.0508
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0022 0.0006
Echinococcus multilocularis neuropeptide s receptor 0.0897 0.4418 0.4417
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2017 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0052 0.021 0.0194
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0015 0.0022 0.0003
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0059 0.0243 0.024
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0026 0.1853
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0448 0.0446
Loa Loa (eye worm) hypothetical protein 0.0059 0.0243 0.0226
Schistosoma mansoni apoptosis regulator bax 0.0059 0.0243 0.024
Echinococcus multilocularis geminin 0.0243 0.116 0.1158
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0039 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0021 0.0053 0.7063
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0138 0.0136
Trypanosoma brucei PAB1-binding protein , putative 0.0023 0.0067 0.0067
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0022 0.3665
Entamoeba histolytica acyl-coA synthetase, putative 0.0018 0.0039 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0297 0.0281
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0014 0.0019 0.0019
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0022 0.0003
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0022 0.002
Giardia lamblia PHD finger protein 15 0.0021 0.0053 1
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0059 0.0243 0.024
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0059 0.0243 0.024
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0003
Schistosoma mansoni jumonji/arid domain-containing protein 0.0052 0.021 0.0207
Plasmodium vivax ataxin-2 like protein, putative 0.0023 0.0067 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Brugia malayi hypothetical protein 0.0015 0.0026 0.0006
Echinococcus multilocularis jumonji domain containing protein 0.0029 0.0093 0.0091
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0018 0.0039 0.025
Schistosoma mansoni survival motor neuron protein 0.0036 0.0131 0.0129
Schistosoma mansoni DNA polymerase eta 0.0015 0.0022 0.002
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0039 0.002
Loa Loa (eye worm) MH2 domain-containing protein 0.0056 0.023 0.0213
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0014 0.0019 0.0017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0448 0.0446
Brugia malayi hypothetical protein 0.0017 0.0033 0.0013
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0059 0.0243 0.0224
Echinococcus granulosus dna polymerase eta 0.0015 0.0022 0.002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0138 0.0122
Brugia malayi jmjC domain containing protein 0.0095 0.0422 0.0404
Echinococcus multilocularis neuropeptide receptor A26 0.0897 0.4418 0.4417
Schistosoma mansoni hypothetical protein 0.0021 0.0053 0.0051
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0026 0.4969
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2017 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0022 0.002
Brugia malayi Muscleblind-like protein 0.0113 0.0511 0.0492
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0053 0.0037
Echinococcus granulosus neuropeptide s receptor 0.0897 0.4418 0.4417
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0026 0.0007
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0026 0.0023
Echinococcus granulosus lysine specific demethylase 5A 0.0052 0.021 0.0207
Brugia malayi isocitrate dehydrogenase 0.0015 0.0026 0.0007
Echinococcus multilocularis muscleblind protein 0.0113 0.0511 0.0508
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0039 0.002
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0039 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Echinococcus granulosus geminin 0.0243 0.116 0.1158
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Onchocerca volvulus Huntingtin homolog 0.0092 0.041 0.0372
Mycobacterium ulcerans hypothetical protein 0.0018 0.0039 0.025
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0021 0.0053 0.0037
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0067 0.0048
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0022 0.002
Brugia malayi Protein kinase domain containing protein 0.0376 0.1825 0.1809
Plasmodium vivax JmjC domain containing protein 0.0014 0.0019 0.0553
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0039 0.025
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2017 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.041 0.0394
Echinococcus granulosus muscleblind protein 0.0113 0.0511 0.0508
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0376 0.1825 0.1812
Loa Loa (eye worm) hypothetical protein 0.0015 0.0022 0.0006
Onchocerca volvulus 0.007 0.0297 0.0259
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.0022 0.0022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0119 0.0545 0.0527
Schistosoma mansoni hypothetical protein 0.0036 0.0131 0.0129
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0059 0.0243 0.024
Onchocerca volvulus 0.0036 0.0131 0.0092
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0022 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0067 0.0051
Trypanosoma cruzi DNA polymerase eta, putative 0.0015 0.0022 0.0003
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0026 0.0023
Echinococcus multilocularis peregrin 0.0021 0.0053 0.0051
Schistosoma mansoni hypothetical protein 0.0059 0.0243 0.024
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Onchocerca volvulus Huntingtin homolog 0.0092 0.041 0.0372
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0022 0.0022
Toxoplasma gondii LsmAD domain-containing protein 0.0023 0.0067 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0039 0.025
Schistosoma mansoni hypothetical protein 0.0038 0.0138 0.0136
Echinococcus multilocularis dna polymerase kappa 0.0015 0.0022 0.002
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0199 0.0943 0.0941
Entamoeba histolytica hypothetical protein 0.0017 0.0033 0.6202
Loa Loa (eye worm) hypothetical protein 0.0113 0.0511 0.0495
Schistosoma mansoni hypothetical protein 0.0038 0.0138 0.0136
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0017 0.0033 0.003
Echinococcus granulosus phd:f box containing protein 0.0014 0.0019 0.0017
Loa Loa (eye worm) hypothetical protein 0.0082 0.0357 0.0341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0448 0.0446
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0022 0.0003
Echinococcus multilocularis JmjC domain containing protein 4 0.0014 0.0019 0.0017
Brugia malayi hypothetical protein 0.007 0.0297 0.0279
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0138 0.0136
Toxoplasma gondii PHD-finger domain-containing protein 0.0021 0.0053 0.7063
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0018 0.0039 0.025
Entamoeba histolytica hypothetical protein 0.0017 0.0033 0.6202
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0039 0.002
Echinococcus multilocularis PHD finger protein rhinoceros 0.0021 0.0053 0.0051
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0353 0.0351
Mycobacterium ulcerans DNA polymerase IV 0.0015 0.0022 0.0066
Loa Loa (eye worm) hypothetical protein 0.0113 0.0511 0.0495
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0015 0.0022 0.3665
Trypanosoma brucei DNA polymerase IV, putative 0.0015 0.0022 0.0022
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0018 0.0039 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0015 0.0022 0.0003
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0059 0.0243 0.024
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0026 0.0007
Brugia malayi PHD-finger family protein 0.0021 0.0053 0.0034
Loa Loa (eye worm) hypothetical protein 0.0043 0.0163 0.0146
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0038 0.0138 0.0136
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0039 0.002
Echinococcus granulosus survival motor neuron protein 1 0.0178 0.0838 0.0835
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0026 0.1376
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.2017 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0067 1
Schistosoma mansoni transcription factor LCR-F1 0.0017 0.0033 0.003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0138 0.0119
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0039 0.0023
Leishmania major hypothetical protein, conserved 0.0023 0.0067 0.0048
Loa Loa (eye worm) hypothetical protein 0.0181 0.0853 0.0838
Echinococcus multilocularis GPCR, family 2 0.0038 0.0138 0.0136
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2017 1 1
Plasmodium falciparum phd finger protein, putative 0.0021 0.0053 0.7226
Echinococcus multilocularis lysine specific demethylase 6a 0.0014 0.0019 0.0017
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0003
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0039 0.025
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0036 0.0131 0.0112
Echinococcus granulosus dna polymerase kappa 0.0015 0.0022 0.002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0026 0.0023
Entamoeba histolytica hypothetical protein 0.0017 0.0033 0.6202
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0022 0.0022
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.0448 0.043
Echinococcus multilocularis jumonji domain containing 1A 0.0014 0.0019 0.0017
Schistosoma mansoni hypothetical protein 0.0038 0.0138 0.0136
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0026 0.1853
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0448 0.0446
Echinococcus granulosus JmjC domain containing protein 4 0.0014 0.0019 0.0017
Entamoeba histolytica hypothetical protein 0.0017 0.0033 0.6202
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0022 0.002
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.2017 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0052 0.021 0.0207
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.2017 1 1
Schistosoma mansoni hypothetical protein 0.0243 0.116 0.1158
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0163 0.0146
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0138 0.0119
Mycobacterium ulcerans glutaminase 0.0194 0.0915 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimalarial activity against liver stage of transgenic Plasmodium berghei expressing PbGFP-Luc-con infected in human HuH7 cells at 1 to 15 uM after 48 hrs by bioluminescence method ChEMBL. 22071523
Activity (binding) = 524.2 Inhibition of MDR1-mediated efflux-pump activity in mouse L5178Y cells expressing human MDR1 assessed as forward scattered light at 2 uM preincubated for 10 mins followed by rhodamine-123 addition measured after 20 mins by flow cytometry (Rvb = 455 LITERATURE. 27591010
IC50 (functional) = 57.3 uM Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 48 hrs by SYBR green 1-based fluorescence assay ChEMBL. 22071523
IC50 (functional) = 68.4 uM Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 infected in erythrocytes after 48 hrs by SYBR green 1-based fluorescence assay ChEMBL. 22071523
IC50 (ADMET) > 133.3 uM Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay ChEMBL. 22071523
Ratio (binding) = 1.1 Inhibition of MDR1-mediated efflux-pump activity in mouse L5178Y cells expressing human MDR1 assessed as fluorescence activity ratio at 20 uM preincubated for 10 mins followed by rhodamine-123 addition measured after 20 mins by flow cytometry LITERATURE. 27591010
Ratio (binding) = 1.3 Inhibition of MDR1-mediated efflux-pump activity in mouse L5178Y cells expressing human MDR1 assessed as fluorescence activity ratio at 2 uM preincubated for 10 mins followed by rhodamine-123 addition measured after 20 mins by flow cytometry LITERATURE. 27591010

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

1 literature reference was collected for this gene.

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