Detailed information for compound 1304468

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 484.538 | Formula: C27H32O8
  • H donors: 1 H acceptors: 4 LogP: 1.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CC1[C@@]2(C)C(=O)C3C(C1(C)C)(O)OC1(C2CC[C@@]2(C1=CC(=O)OC2c1ccoc1)C)C3
  • InChi: 1S/C27H32O8/c1-23(2)17(10-19(28)32-5)25(4)16-6-8-24(3)18(11-20(29)34-22(24)14-7-9-33-13-14)26(16)12-15(21(25)30)27(23,31)35-26/h7,9,11,13,15-17,22,31H,6,8,10,12H2,1-5H3/t15?,16?,17?,22?,24-,25+,26?,27?/m1/s1
  • InChiKey: URGZBBCARSDFSL-IGPQQBLSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0581 0.0581
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0506 0.0701
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0581 0.0581
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0357 0.0746
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.052 0.052
Brugia malayi steroid hormone receptor 0.0017 0.0506 0.0701
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.2517 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0506 0.0701
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0506 0.0701
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0581 0.1037
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.1016 0.3568
Mycobacterium ulcerans DNA polymerase IV 0.005 0.2517 1
Trichomonas vaginalis DNA polymerase eta, putative 0.005 0.2517 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0581 0.1037
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0357 0.0494
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0581 0.0804
Onchocerca volvulus Bile acid receptor homolog 0.0017 0.0506 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0581 0.5
Echinococcus multilocularis geminin 0.017 1 1
Brugia malayi nuclear receptor NHR-88 0.0017 0.0506 0.0701
Echinococcus granulosus dna polymerase kappa 0.005 0.2517 0.2517
Echinococcus multilocularis dna polymerase eta 0.0017 0.052 0.052
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0506 0.0506
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0581 0.0581
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0506 0.0701
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0017 0.0506 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0506 0.0506
Brugia malayi nuclear hormone receptor 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0506 0.0701
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0506 0.0506
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.052 0.072
Giardia lamblia DINP protein human, muc B family 0.0025 0.1016 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0506 0.0701
Echinococcus granulosus dna polymerase eta 0.0017 0.052 0.052
Schistosoma mansoni coup transcription factor 0.0017 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0678 0.2122
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0581 0.1706
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0581 0.0804
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0506 0.0701
Onchocerca volvulus Protein ultraspiracle homolog 0.0017 0.0506 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0357 0.0494
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0506 0.0701
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0581 0.0581
Leishmania major DNA polymerase eta, putative 0.0017 0.052 0.2478
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0506 0.0701
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0581 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0.052 0.1445
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0506 0.0506
Onchocerca volvulus 0.0017 0.0506 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.7226 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0581 0.0581
Mycobacterium ulcerans DNA polymerase IV 0.005 0.2517 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0581 0.0581
Brugia malayi polk-prov protein 0.0038 0.1767 0.2446
Brugia malayi Cytochrome P450 family protein 0.0015 0.0357 0.0494
Schistosoma mansoni DNA polymerase eta 0.0017 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0011 0.0091 0.0126
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0506 0.0506
Trypanosoma cruzi DNA polymerase eta, putative 0.0017 0.052 0.0756
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0506 0.0506
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.1767 0.6789
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.2517 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0581 1
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.2517 1
Brugia malayi MH2 domain containing protein 0.0125 0.7226 1
Leishmania major DNA polymerase kappa, putative 0.0025 0.1016 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0506 0.0506
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0506 0.0701
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.052 0.052
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.052 0.052
Trypanosoma brucei unspecified product 0.0042 0.2022 0.7878
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0506 0.0506
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0506 0.0701
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0506 0.0701
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0506 0.0506
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0581 0.3401
Echinococcus multilocularis dna polymerase kappa 0.005 0.2517 0.2517
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0678 0.2122
Schistosoma mansoni hypothetical protein 0.017 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0506 0.0506
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.052 0.072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0506 0.0701
Brugia malayi isocitrate dehydrogenase 0.0018 0.0581 0.0804
Loa Loa (eye worm) hypothetical protein 0.0017 0.052 0.072
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0506 0.0506
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.2517 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.2022 0.7878
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0581 0.1226
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0581 0.0581
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0506 0.0506
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.7226 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0506 0.0701
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0506 0.0506
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.005 0.2517 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0357 0.0494
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0506 0.0506
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0506 0.0506
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.052 0.052
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.1767 0.6789
Brugia malayi Cytochrome P450 family protein 0.0015 0.0357 0.0494
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0678 0.2122
Loa Loa (eye worm) hypothetical protein 0.0038 0.1767 0.2446
Entamoeba histolytica deoxycytidyl transferase, putative 0.0017 0.052 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0506 0.0506
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0506 0.0701
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0506 0.0506
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0506 0.0701
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0581 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0025 0.1016 1
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.2517 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0506 0.0506
Schistosoma mansoni hypothetical protein 0.017 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0506 0.0701
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.2517 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0506 0.0506
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0506 0.0506
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0506 0.0701
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0025 0.1016 1
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0506 0.0506
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0506 0.0506
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0506 0.0506
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.052 0.072
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0506 0.0701
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0581 0.1706
Brugia malayi ecdysteroid receptor 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0506 0.0701
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0506 0.0701

Activities

Activity type Activity value Assay description Source Reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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