Detailed information for compound 1361069

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.475 | Formula: C21H23NO6S
  • H donors: 1 H acceptors: 5 LogP: 2.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C21H23NO6S/c23-14-16-4-6-18(7-5-16)21(25)28-15-20(24)17-8-10-19(11-9-17)29(26,27)22-12-2-1-3-13-22/h4-11,23H,1-3,12-15H2
  • InChiKey: LINILPSDHRLFPH-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1956 0.1956
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.018
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0023 0.1039 0.0813
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0013 0.00000000024598 0.0000000005015
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0015 0.018 0.0368
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.2226 0.2083
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0076 0.6622 0.6622
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0023 0.1078 0.2367
Trichomonas vaginalis chromobox protein, putative 0.0048 0.3686 0.3686
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0023 0.1039 0.0813
Loa Loa (eye worm) hypothetical protein 0.0035 0.2313 0.2313
Loa Loa (eye worm) hypothetical protein 0.0013 0.00000000024598 0.00000000024598
Echinococcus granulosus ubiquitin 0.0037 0.2503 0.2503
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0028 0.1624 0.1624
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.003 0.1811 0.481
Schistosoma mansoni serine/threonine protein kinase 0.0108 1 1
Leishmania major small ubiquitin protein, putative 0.006 0.4905 0.4811
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0037 0.2573 0.2573
Echinococcus multilocularis chromobox protein 1 0.008 0.7015 0.7015
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.1811 0.2273
Echinococcus granulosus chromobox protein 1 0.008 0.7015 0.7015
Schistosoma mansoni hypothetical protein 0.0018 0.0526 0.0526
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.003 0.1811 0.4687
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Brugia malayi polk-prov protein 0.0042 0.3091 0.3091
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0529 0.0529
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.3091 0.2964
Trypanosoma brucei unspecified product 0.0061 0.5101 0.5011
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Loa Loa (eye worm) hypothetical protein 0.0045 0.3329 0.3329
Entamoeba histolytica serine/threonine protein kinase, putative 0.0108 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0132 0.0132
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.2959 0.2959
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Trypanosoma cruzi hypothetical protein 0.0076 0.6622 0.656
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 1 1
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0013 0.00000000024598 0.0000000005015
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.3329 0.3329
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.273 0.273
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0076 0.6622 0.6622
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0108 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Entamoeba histolytica hypothetical protein 0.0041 0.2959 0.2959
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.006 0.4905 0.4905
Trichomonas vaginalis conserved hypothetical protein 0.006 0.4905 0.4905
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.2226 0.2083
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0027 0.1427 0.1427
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0023 0.1039 0.172
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0529 0.0355
Plasmodium vivax sentrin-specific protease 2, putative 0.0015 0.018 0.0368
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Echinococcus granulosus dna polymerase eta 0.0068 0.576 0.576
Plasmodium falciparum small ubiquitin-related modifier 0.006 0.4905 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0013 0.00000000024598 0.00000000024598
Echinococcus multilocularis sentrin specific protease 8 0.0076 0.6622 0.6622
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Loa Loa (eye worm) SMO-1 protein 0.006 0.4905 0.4905
Schistosoma mansoni kinase 0.0055 0.4407 0.4407
Mycobacterium leprae Probable polyketide synthase Pks1 0.003 0.1811 0.481
Trichomonas vaginalis chromobox protein, putative 0.0048 0.3686 0.3686
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0015 0.018 0.018
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.003 0.1811 0.2273
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0042 0.3091 0.3091
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0015 0.018 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0069 0.5895 0.5819
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Echinococcus multilocularis dna polymerase eta 0.0068 0.576 0.576
Trypanosoma cruzi small ubiquitin protein, putative 0.006 0.4905 0.4811
Echinococcus multilocularis dna polymerase kappa 0.0069 0.5895 0.5895
Schistosoma mansoni hypothetical protein 0.0041 0.2959 0.2959
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.5101 0.5011
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.2693 0.2693
Loa Loa (eye worm) hypothetical protein 0.0068 0.576 0.576
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0013 0.00000000024598 0.00000000024598
Brugia malayi chromobox protein homolog 3 0.0045 0.3329 0.3329
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0108 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0076 0.6622 0.6622
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0069 0.5895 0.5895
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0015 0.018 0.018
Echinococcus granulosus sentrin specific protease 1 0.0015 0.018 0.018
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Leishmania major DNA polymerase kappa, putative 0.0046 0.3488 0.3368
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0529 0.0355
Loa Loa (eye worm) acyl carrier protein 0.0013 0.0005 0.0005
Giardia lamblia Kinase, PLK 0.0108 1 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0027 0.1427 0.3473
Schistosoma mansoni hypothetical protein 0.0018 0.0526 0.0526
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.1624 0.1921
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0048 0.3686 0.3686
Brugia malayi isocitrate dehydrogenase 0.0018 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.0048 0.3662 0.3662
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0529 0.0529
Trypanosoma brucei DNA polymerase IV, putative 0.0069 0.5895 0.5819
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.1624 0.1921
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.00000000024598 0.00000000024598
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0529 0.1079
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0529 0.0355
Schistosoma mansoni SET domain protein 0.0037 0.2573 0.2573
Plasmodium vivax hypothetical protein, conserved 0.0013 0.00000000024598 0.0000000005015
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0529 0.1079
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0043 0.3107 0.8793
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0526 0.0526
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.1624 0.1921
Onchocerca volvulus Fatty acid synthase homolog 0.0051 0.403 0.403
Echinococcus multilocularis ubiquitin 0.0037 0.2503 0.2503
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0529 0.0529
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.2956 0.2827
Echinococcus multilocularis Chromo domain 0.0013 0.00000000024598 0.00000000024598
Loa Loa (eye worm) hypothetical protein 0.0057 0.4629 0.4629
Schistosoma mansoni hypothetical protein 0.0018 0.0526 0.0526
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.00000000024598 0.00000000024598
Trypanosoma brucei polo-like protein kinase 0.0108 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.2693 0.2693
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0015 0.018 0.018
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.2959 0.2959
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.1624 0.4097
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.3488 0.3368
Entamoeba histolytica hypothetical protein 0.0041 0.2959 0.2959
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0013 0.00000000024598 0.00000000024598
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Onchocerca volvulus Serine\/threonine kinase homolog 0.0108 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.4629 0.4629
Onchocerca volvulus 0.0037 0.2503 0.2503
Schistosoma mansoni hypothetical protein 0.0018 0.0526 0.0526
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0529 0.0529
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 1 1
Echinococcus multilocularis chromobox protein 1 0.008 0.7015 0.7015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0526 0.0526
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0028 0.1624 0.4097
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0529 0.0355
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0028 0.1532 0.3806
Loa Loa (eye worm) hypothetical protein 0.0037 0.2503 0.2503
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.00000000024598 0.00000000024598
Trichomonas vaginalis ubiquitin, putative 0.0037 0.2503 0.2503
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0526 0.0526
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.2693 0.2693
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0529 0.0628
Loa Loa (eye worm) heterochromatin protein 1 0.008 0.7015 0.7015
Echinococcus granulosus chromobox protein 1 0.008 0.7015 0.7015
Schistosoma mansoni hypothetical protein 0.0039 0.273 0.273
Plasmodium vivax sentrin-specific protease 1, putative 0.0015 0.018 0.0368
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0054 0.4308 0.4308
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0015 0.018 0.018
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1427 0.1427
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.002 0.078 0.1423
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Trichomonas vaginalis chromobox protein, putative 0.008 0.7015 0.7015
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.2503 0.2503
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.2693 0.7484
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.4257 0.4257
Echinococcus granulosus sentrin specific protease 8 0.0076 0.6622 0.6622
Onchocerca volvulus 0.0014 0.0132 0.0132
Giardia lamblia Sentrin 0.006 0.4905 0.4811
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0018 0.0571 0.1165
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.2226 0.2083
Brugia malayi hypothetical protein 0.0037 0.2503 0.2503
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0108 1 1
Brugia malayi Ubiquitin-like protein SMT3 0.006 0.4905 0.4905
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Toxoplasma gondii type I fatty acid synthase, putative 0.003 0.1811 0.3691
Trichomonas vaginalis Sentrin-specific protease, putative 0.0076 0.6622 0.6622
Entamoeba histolytica hypothetical protein 0.0041 0.2959 0.2959
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Echinococcus granulosus dna polymerase kappa 0.0069 0.5895 0.5895
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.2693 0.2693
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0015 0.018 0.0368
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.2693 0.2693
Onchocerca volvulus 0.0027 0.1427 0.1427
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0529 0.0529
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.3329 0.3329
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0529 0.1079
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0015 0.018 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.4629 0.4629
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Brugia malayi hypothetical protein 0.0041 0.2959 0.2959
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Leishmania major DNA polymerase eta, putative 0.0041 0.2956 0.2827
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0015 0.018 0.018
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.2693 0.2693
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.2693 0.2693
Loa Loa (eye worm) Ulp1 protease 0.0076 0.6622 0.6622
Brugia malayi SET domain containing protein 0.0014 0.0132 0.0132
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Mycobacterium ulcerans polyketide synthase Pks13 0.0043 0.3107 0.4725
Mycobacterium leprae Polyketide synthase Pks13 0.0043 0.3107 1
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1956 0.1956
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0529 0.0529
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0015 0.018 0.0368
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0015 0.018 0.018
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0015 0.018 0.018
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Trypanosoma cruzi small ubiquitin protein, putative 0.006 0.4905 0.4811
Mycobacterium ulcerans DNA polymerase IV 0.0069 0.5895 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0076 0.6622 0.6622
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.00000000024598 0.00000000024598
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.3091 0.2964
Mycobacterium tuberculosis Polyketide synthase Pks12 0.003 0.1811 0.4687
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0526 0.0526
Plasmodium falciparum sentrin-specific protease 1 0.0015 0.018 0.0368
Mycobacterium ulcerans polyketide synthase 0.003 0.1811 0.2273
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0526 0.0526
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.2956 0.6027
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0028 0.1624 0.4065
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Leishmania major DNA polymerase eta, putative 0.0068 0.576 0.5682
Mycobacterium ulcerans polyketide synthase 0.0028 0.1624 0.1921
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0015 0.018 0.018
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0076 0.6622 0.6622
Echinococcus multilocularis Small ubiquitin modifier 2 0.006 0.4905 0.4905
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.1624 0.4097
Trypanosoma brucei unspecified product 0.0027 0.1431 0.1274
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.003 0.1811 0.481
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0046 0.3488 0.3368
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0108 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0028 0.1624 0.4065
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0024 0.1125 0.2064
Onchocerca volvulus 0.0035 0.2313 0.2313
Trichomonas vaginalis DNA polymerase eta, putative 0.0069 0.5895 0.5895
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.0142 0.0289
Echinococcus multilocularis sentrin specific protease 7 0.0015 0.018 0.018
Trichomonas vaginalis chromobox protein, putative 0.008 0.7015 0.7015
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.3329 0.3329
Echinococcus granulosus sentrin specific protease 7 0.0015 0.018 0.018
Brugia malayi Heterochromatin protein 1 0.008 0.7015 0.7015
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.00000000024598 0.00000000024598
Echinococcus multilocularis GPCR, family 2 0.0018 0.0526 0.0526
Trypanosoma cruzi DNA polymerase eta, putative 0.0068 0.576 0.5682
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Echinococcus multilocularis sentrin specific protease 1 0.0015 0.018 0.018
Echinococcus granulosus GPCR family 2 0.0018 0.0526 0.0526
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.2959 0.2959
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0526 0.0526
Entamoeba histolytica hypothetical protein 0.0037 0.2503 0.2503
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0043 0.3107 0.8793
Trypanosoma brucei DNA polymerase eta, putative 0.0068 0.576 0.5682
Brugia malayi CHD4 protein 0.0013 0.00000000024598 0.00000000024598
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.1624 0.1921
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0015 0.018 0.018
Mycobacterium ulcerans DNA polymerase IV 0.0069 0.5895 1
Mycobacterium ulcerans thioesterase TesA 0.0024 0.1125 0.0975
Entamoeba histolytica hypothetical protein 0.0041 0.2959 0.2959
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0526 0.0526
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.4257 0.4257
Loa Loa (eye worm) hypothetical protein 0.0039 0.273 0.273
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.003 0.1811 0.4687
Echinococcus granulosus Chromo domain 0.0013 0.00000000024598 0.00000000024598
Trypanosoma brucei small ubiquitin-related modifier 0.006 0.4905 0.4811
Loa Loa (eye worm) fatty acid synthase 0.0028 0.1584 0.1584
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0529 0.1079
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0529 0.0529
Toxoplasma gondii type I fatty acid synthase, putative 0.002 0.0761 0.1551
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.4629 0.4629
Schistosoma mansoni DNA polymerase eta 0.0068 0.576 0.576
Schistosoma mansoni chromobox protein 0.008 0.7015 0.7015
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0076 0.6622 0.6622
Entamoeba histolytica ubiquitin like protein 0.006 0.4905 0.4905
Trichomonas vaginalis CAMK family protein kinase 0.0108 1 1
Loa Loa (eye worm) Ulp1 protease 0.0015 0.018 0.018
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.5895 0.5819
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.018 0.018
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0028 0.1532 0.3806
Trypanosoma brucei unspecified product 0.0027 0.1431 0.1274
Loa Loa (eye worm) hypothetical protein 0.0018 0.0526 0.0526
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.002 0.0683 0.1393
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0015 0.018 0.018
Toxoplasma gondii small ubiquitin family modifier, putative 0.006 0.4905 1
Plasmodium vivax small ubiquitin-related modifier, putative 0.006 0.4905 1
Entamoeba histolytica hypothetical protein 0.0013 0.00000000024598 0.00000000024598
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.00000000024598 0.00000000024598
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0529 0.0529
Onchocerca volvulus 0.005 0.3844 0.3844
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0529 0.0355
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0015 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0013 0.00000000024598 0.00000000024598
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.00000000024598 0.00000000024598
Mycobacterium ulcerans thioesterase 0.0024 0.1125 0.0975
Schistosoma mansoni chromobox protein 0.008 0.7015 0.7015
Echinococcus granulosus Small ubiquitin modifier 2 0.006 0.4905 0.4905
Onchocerca volvulus 0.0015 0.018 0.018
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.018
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0046 0.3488 1
Giardia lamblia DINP protein human, muc B family 0.0046 0.3488 0.3368
Loa Loa (eye worm) hypothetical protein 0.0016 0.0306 0.0306
Mycobacterium tuberculosis Probable thioesterase TesA 0.0024 0.1125 0.2514
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0037 0.2573 0.2573
Brugia malayi ImpB/MucB/SamB family protein 0.0068 0.576 0.576

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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