Detailed information for compound 1573982

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 537.776 | Formula: C33H51N3O3
  • H donors: 1 H acceptors: 4 LogP: 9.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)OC(=O)n1ncnc1)C(=C)C
  • InChi: 1S/C33H51N3O3/c1-21(2)22-10-15-33(18-37)17-16-31(6)23(27(22)33)8-9-25-30(5)13-12-26(39-28(38)36-20-34-19-35-36)29(3,4)24(30)11-14-32(25,31)7/h19-20,22-27,37H,1,8-18H2,2-7H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33+/m0/s1
  • InChiKey: OADOSKXSSKDXCA-RJCDTCFGSA-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 multilocularis dna polymerase eta 0.005 0.0469 0.0455
Entamoeba histolytica deoxycytidyl transferase, putative 0.003 0.015 0.0294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0924 0.0911
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0058 0.0606 0.0593
Brugia malayi latrophilin 2 splice variant baaae 0.0126 0.1696 0.1728
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0046 0.0404 0.0577
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0266 0.3963 1
Brugia malayi hypothetical protein 0.0067 0.0744 0.075
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0404 0.039
Brugia malayi nuclear receptor RXR 0.0024 0.0056 0.0043
Schistosoma mansoni 6-phosphofructokinase 0.0084 0.1027 0.1014
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0386 0.5899 0.775
Brugia malayi N-terminal motif family protein 0.0167 0.237 0.2421
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0078 0.0924 0.0935
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0077 0.0903 0.2212
Trichomonas vaginalis phosphofructokinase, putative 0.0084 0.1027 0.1476
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0029 0.014 0.0115
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0469 0.3777
Brugia malayi Steroid receptor seven-up type 2 0.0046 0.0404 0.04
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Entamoeba histolytica hypothetical protein 0.0067 0.0744 0.1807
Leishmania major DNA polymerase eta, putative 0.0029 0.0136 0.0066
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0029 0.014 0.2006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0067 0.0744 0.0731
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0084 0.1027 1
Entamoeba histolytica hypothetical protein 0.0067 0.0744 0.1807
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0469 0.0467
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0029 0.013 0.0115
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0029 0.014 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0046 0.0404 0.04
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0046 0.0404 0.039
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0046 0.0404 0.039
Entamoeba histolytica hypothetical protein 0.0067 0.0744 0.1807
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0046 0.0404 0.039
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0029 0.013 0.0243
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0046 0.0404 0.039
Echinococcus granulosus FTZ F1 alpha 0.0046 0.0404 0.039
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0029 0.014 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0029 0.0136 0.1923
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0561 0.0547
Echinococcus multilocularis thyroid hormone receptor alpha 0.0046 0.0404 0.039
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0029 0.014 0.0126
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0053 0.0528 0.0514
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0046 0.0404 0.039
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0029 0.013 0.0115
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0029 0.013 0.0115
Leishmania major DNA polymerase eta, putative 0.005 0.0469 0.3777
Echinococcus granulosus geminin 0.0608 0.9481 0.948
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0067 0.0744 0.0731
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0404 0.04
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0404 0.039
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0046 0.0404 0.039
Brugia malayi isocitrate dehydrogenase 0.0029 0.014 0.0129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0184 0.2635 0.2694
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0266 0.3963 0.5842
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Toxoplasma gondii isocitrate dehydrogenase 0.0029 0.014 0.2006
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.003 0.015 0.0226
Echinococcus multilocularis GPCR, family 2 0.0058 0.0606 0.0593
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0084 0.1027 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0046 0.0404 0.0513
Entamoeba histolytica phosphofructokinase, putative 0.0084 0.1027 0.2527
Brugia malayi nuclear hormone receptor 0.0046 0.0404 0.04
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0184 0.2635 0.3452
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0046 0.0404 0.039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0404 0.039
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0046 0.0404 0.039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0404 0.04
Brugia malayi ecdysteroid receptor 0.0046 0.0404 0.04
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0058 0.0606 0.0593
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Echinococcus multilocularis geminin 0.0608 0.9481 0.948
Trypanosoma brucei DNA polymerase IV, putative 0.003 0.015 0.1459
Giardia lamblia DINP protein human, muc B family 0.003 0.015 0.0294
Schistosoma mansoni hypothetical protein 0.0608 0.9481 0.948
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0046 0.0404 0.04
Onchocerca volvulus 0.0439 0.676 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0046 0.0404 0.039
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.0056 0.0042
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0046 0.0404 0.0513
Echinococcus granulosus dna polymerase eta 0.005 0.0469 0.0455
Echinococcus granulosus 6 phosphofructokinase 0.0084 0.1027 0.1014
Loa Loa (eye worm) hypothetical protein 0.0167 0.237 0.3102
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0266 0.3963 0.5842
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0046 0.0404 0.039
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0055 0.0561 0.0547
Brugia malayi Pre-SET motif family protein 0.0055 0.0561 0.0562
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0266 0.3963 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0023 0.0034 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0078 0.0924 0.0911
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0058 0.0606 0.0593
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0266 0.3963 0.5201
Loa Loa (eye worm) 6-phosphofructokinase 0.0084 0.1027 0.1334
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0029 0.013 0.0115
Loa Loa (eye worm) hypothetical protein 0.0126 0.1696 0.2215
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0029 0.013 0.0142
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0404 0.039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0046 0.0404 0.0513
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0266 0.3963 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0046 0.0404 0.04
Trypanosoma cruzi DNA polymerase eta, putative 0.0029 0.0136 0.0066
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.003 0.015 0.0178
Schistosoma mansoni transcription factor LCR-F1 0.0067 0.0744 0.0731
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Echinococcus multilocularis ecdysone induced protein 78C 0.0046 0.0404 0.039
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0084 0.1027 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0056 0.0042
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0266 0.3963 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.3933 0.5161
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.0056 0.0042
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0029 0.013 0.0118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0078 0.0924 0.0911
Loa Loa (eye worm) 6-phosphofructokinase 0.0084 0.1027 0.1334
Trichomonas vaginalis phosphofructokinase, putative 0.0084 0.1027 0.1476
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0029 0.013 0.0243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0046 0.0404 0.0513
Loa Loa (eye worm) hypothetical protein 0.0184 0.2635 0.3452
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0046 0.0404 0.039
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0029 0.014 0.1363
Brugia malayi 6-phosphofructokinase 0.0084 0.1027 0.1041
Brugia malayi nuclear receptor NHR-88 0.0046 0.0404 0.04
Leishmania major DNA polymerase kappa, putative 0.003 0.015 0.0226
Schistosoma mansoni hypothetical protein 0.0058 0.0606 0.0593
Loa Loa (eye worm) steroid hormone receptor 0.0046 0.0404 0.0513
Echinococcus granulosus dna polymerase kappa 0.003 0.015 0.0136
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0029 0.014 0.0126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0046 0.0404 0.0513
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.0056 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0924 0.0911
Schistosoma mansoni terminal deoxycytidyl transferase 0.003 0.015 0.0136
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.015 0.0226
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0404 0.039
Echinococcus multilocularis dna polymerase kappa 0.003 0.015 0.0136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0078 0.0924 0.0911
Echinococcus multilocularis microtubule associated protein 2 0.064 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0084 0.1027 0.2527
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0029 0.014 0.0115
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0924 0.0911
Echinococcus multilocularis ubiquitin specific protease 41 0.0029 0.013 0.0115
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0266 0.3963 0.5842
Brugia malayi steroid hormone receptor 0.0046 0.0404 0.04
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0404 0.04
Schistosoma mansoni hypothetical protein 0.0608 0.9481 0.948
Brugia malayi Latrophilin receptor protein 2 0.0058 0.0606 0.0608
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0029 0.014 0.0126
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0266 0.3963 0.5842
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0029 0.014 0.1363
Mycobacterium ulcerans 6-phosphofructokinase 0.0084 0.1027 0.23
Loa Loa (eye worm) hypothetical protein 0.0055 0.0561 0.072
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0266 0.3963 0.5842
Onchocerca volvulus 0.0055 0.0561 0.081
Loa Loa (eye worm) hypothetical protein 0.005 0.0469 0.0598
Loa Loa (eye worm) phosphofructokinase 0.0084 0.1027 0.1334
Entamoeba histolytica phosphofructokinase, putative 0.0084 0.1027 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0404 0.04
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0029 0.013 0.0115
Brugia malayi 6-phosphofructokinase 0.0084 0.1027 0.1041
Schistosoma mansoni RAR-like nuclear receptor 0.0046 0.0404 0.039
Schistosoma mansoni DNA polymerase eta 0.005 0.0469 0.0455
Onchocerca volvulus 0.0046 0.0404 0.0577
Echinococcus granulosus histone lysine methyltransferase setb 0.0055 0.0561 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.003 0.015 0.0026
Loa Loa (eye worm) latrophilin receptor protein 2 0.0058 0.0606 0.0779
Trypanosoma brucei DNA polymerase IV, putative 0.003 0.015 0.1459
Echinococcus granulosus GPCR family 2 0.0058 0.0606 0.0593
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0624 0.9744 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0167 0.237 0.3491
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.0056 0.0055
Trichomonas vaginalis phosphofructokinase, putative 0.0084 0.1027 0.1476
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0055
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0055
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0056 0.0043
Loa Loa (eye worm) hypothetical protein 0.0132 0.1797 0.2348
Schistosoma mansoni 6-phosphofructokinase 0.0084 0.1027 0.1014
Brugia malayi hypothetical protein 0.0024 0.0056 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.003 0.015 0.1459
Brugia malayi phosphofructokinase 0.0084 0.1027 0.1041
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.015 0.0026
Echinococcus multilocularis 6 phosphofructokinase 0.0084 0.1027 0.1014
Brugia malayi Pre-SET motif family protein 0.0386 0.5899 0.6048
Brugia malayi Calcitonin receptor-like protein seb-1 0.0184 0.2635 0.2694
Loa Loa (eye worm) hypothetical protein 0.0058 0.0606 0.0779
Plasmodium vivax SET domain protein, putative 0.0055 0.0561 1
Schistosoma mansoni hypothetical protein 0.0058 0.0606 0.0593
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Onchocerca volvulus Protein ultraspiracle homolog 0.0046 0.0404 0.0577
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0084 0.1027 0.232
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0058 0.0606 0.0608
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.003 0.015 0.0172
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0084 0.1027 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0046 0.0404 0.0577
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0404 0.04
Schistosoma mansoni steroid hormone receptor ad4bp 0.0046 0.0404 0.039
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0077 0.0903 0.2212
Schistosoma mansoni microtubule-associated protein tau 0.064 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.015 0.0139
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0404 0.039
Trichomonas vaginalis phosphofructokinase, putative 0.0084 0.1027 0.1476
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.015 0.1459
Trypanosoma brucei unspecified product 0.003 0.015 0.1459
Echinococcus granulosus ubiquitin specific protease 41 0.0029 0.013 0.0115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0404 0.039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0046 0.0404 0.0513
Toxoplasma gondii isocitrate dehydrogenase 0.0029 0.014 0.2006
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0404 0.04
Loa Loa (eye worm) isocitrate dehydrogenase 0.0029 0.014 0.0165
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0266 0.3963 0.4059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0055 0.0561 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.013 0.0142
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0055 0.0561 0.0547
Brugia malayi hypothetical protein 0.0024 0.0056 0.0043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0055 0.0561 0.0547
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0023 0.0034 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0404 0.039
Brugia malayi Isocitrate dehydrogenase 0.0029 0.014 0.0129
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.003 0.015 0.0136
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0055
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.015 0.0226
Echinococcus multilocularis FTZ F1 alpha 0.0046 0.0404 0.039
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0228 0.3341 0.3332
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0046 0.0404 0.039
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0056 0.0043
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0029 0.014 0.0126
Schistosoma mansoni hypothetical protein 0.0067 0.0744 0.0731
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.003 0.015 0.0136
Loa Loa (eye worm) hypothetical protein 0.0492 0.7608 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0093 0.1161 0.151
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0029 0.013 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0046 0.0404 0.04
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0561 0.0547
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0046 0.0404 0.039
Echinococcus multilocularis isocitrate dehydrogenase 0.0029 0.014 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0046 0.0404 0.04
Trichomonas vaginalis DNA polymerase eta, putative 0.003 0.015 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0046 0.0404 0.04
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0029 0.013 0.0142
Schistosoma mansoni coup transcription factor 0.0046 0.0404 0.039
Leishmania major ATP-dependent phosphofructokinase 0.0084 0.1027 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0266 0.3963 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0404 0.0513
Schistosoma mansoni hypothetical protein 0.0058 0.0606 0.0593
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.015 0.0226
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0029 0.014 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.013 0.0152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0078 0.0924 0.0911
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0029 0.014 0.0126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0046 0.0404 0.0513
Brugia malayi MH2 domain containing protein 0.0093 0.1161 0.1178
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0078 0.0924 0.1198
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0404 0.039
Loa Loa (eye worm) hypothetical protein 0.0077 0.0903 0.1171
Entamoeba histolytica hypothetical protein 0.0067 0.0744 0.1807
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0266 0.3963 0.5842
Trichomonas vaginalis set domain proteins, putative 0.0439 0.676 1
Schistosoma mansoni hypothetical protein 0.0058 0.0606 0.0593
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0404 0.039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0058 0.0606 0.0593
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.003 0.015 0.0136
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0404 0.04
Schistosoma mansoni hypothetical protein 0.0126 0.1696 0.1684
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0561 0.0547
Onchocerca volvulus 0.0266 0.3963 0.5854
Echinococcus granulosus ecdysone induced protein 78C 0.0046 0.0404 0.039
Loa Loa (eye worm) transcription factor SMAD2 0.0093 0.1161 0.151
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.015 0.0226
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0029 0.013 0.1262
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0046 0.0404 0.04
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.0469 0.4563
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0046 0.0404 0.04

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.1 uM Cytotoxicity against human PC3 cells after 72 hrs by MTT assay ChEMBL. 20494586
IC50 (functional) = 4.9 uM Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay ChEMBL. 20494586
IC50 (functional) = 6.9 uM Cytotoxicity against human HeLa cells after 72 hrs by MTT assay ChEMBL. 20494586
IC50 (functional) = 7.3 uM Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay ChEMBL. 20494586
IC50 (functional) = 12.2 uM Cytotoxicity against human Jurkat cells after 72 hrs by XTT assay ChEMBL. 20494586
IC50 (ADMET) = 39.4 uM Cytotoxicity against human BJ cells after 72 hrs by MTT assay ChEMBL. 20494586
Inhibition (binding) Inhibition of DNA topoisomerase 1-mediated relaxation of supercoiled plasmid DNA at 100 uM after 3 hrs by gel electrophoresis ChEMBL. 20494586

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20494586

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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