Detailed information for compound 1493804

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 803.305 | Formula: C36H51ClN10O9
  • H donors: 10 H acceptors: 11 LogP: -2.38 Rotable bonds: 27
    Rule of 5 violations (Lipinski): 4
  • SMILES: NC[C@@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C(=O)CNC[C@@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)CC(=O)O)CC(C)C.Cl
  • InChi: 1S/C36H50N10O9.ClH/c1-19(2)10-22(14-37)43-32(50)28-30(41-17-39-28)34(52)45-24(13-27(48)49)26(47)16-38-15-23(11-20(3)4)44-33(51)29-31(42-18-40-29)35(53)46-25(36(54)55)12-21-8-6-5-7-9-21;/h5-9,17-20,22-25,38H,10-16,37H2,1-4H3,(H,39,41)(H,40,42)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,48,49)(H,54,55);1H/t22-,23-,24-,25-;/m0./s1
  • InChiKey: PWTRVUJMVBOJEV-NATPOTRJSA-N  


Substructure search Similarity search

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 Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens small ubiquitin-like modifier 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Ubiquitin-like protein SMT3 Get druggable targets OG5_127053 All targets in OG5_127053
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related Get druggable targets OG5_127053 All targets in OG5_127053
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma brucei gambiense small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma cruzi small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium falciparum small ubiquitin-related modifier Get druggable targets OG5_127053 All targets in OG5_127053
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium vivax small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Toxoplasma gondii small ubiquitin family modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Neospora caninum hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Entamoeba histolytica ubiquitin like protein Get druggable targets OG5_127053 All targets in OG5_127053
Theileria parva ubiquitin, putative Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans kinetochore protein Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania major small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma brucei small ubiquitin-related modifier Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium knowlesi small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania braziliensis small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania infantum small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus granulosus Small ubiquitin modifier 2 Get druggable targets OG5_127053 All targets in OG5_127053
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Babesia bovis ubiquitin-like protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Candida albicans kinetochore protein Get druggable targets OG5_127053 All targets in OG5_127053
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum Small ubiquitin-related modifier 2 precursor, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Giardia lamblia Sentrin Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania donovani small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium berghei small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania mexicana small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Cryptosporidium hominis ubiquitin-like protein Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) SMO-1 protein Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus multilocularis Small ubiquitin modifier 2 Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma cruzi small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Plasmodium falciparum 6-cysteine protein small ubiquitin-like modifier 1 101 aa 92 aa 28.3 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.031 0.0499
Schistosoma mansoni hypothetical protein 0.0205 0.5826 1
Onchocerca volvulus 0.0013 0.0109 0.0176
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0043 0.0069
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.031 0.0533
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.031 0.0533
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Echinococcus multilocularis dna polymerase eta 0.0023 0.0418 0.0717
Brugia malayi DIX domain containing protein 0.0011 0.0043 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0053
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.031 0.0533
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0043 0.0074
Brugia malayi nuclear hormone receptor 0.002 0.031 0.0499
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0418 0.3449
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0043 0.0074
Echinococcus granulosus FTZ F1 alpha 0.002 0.031 0.0533
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.031 0.0499
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.031 0.0533
Brugia malayi nuclear receptor RXR 0.001 0.0033 0.0053
Loa Loa (eye worm) hypothetical protein 0.0023 0.0418 0.0671
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.031 0.0499
Toxoplasma gondii small ubiquitin family modifier, putative 0.0037 0.0828 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0109 0.0176
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0418 0.0671
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.031 0.0499
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0037 0.0828 0.1421
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.031 0.0499
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.031 0.0533
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.031 0.0499
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0418 0.0717
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.031 0.0499
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0033 0.0057
Echinococcus granulosus geminin 0.0205 0.5826 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.031 0.0499
Loa Loa (eye worm) steroid hormone receptor 0.002 0.031 0.0499
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0043 0.0074
Brugia malayi nuclear receptor NHR-88 0.002 0.031 0.0499
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0043 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.031 0.0533
Schistosoma mansoni dishevelled 0.0011 0.0043 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0033 0.0053
Trypanosoma brucei unspecified product 0.0023 0.0418 0.3449
Brugia malayi ecdysteroid receptor 0.002 0.031 0.0499
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0043 0.0074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.031 0.0499
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.031 0.0533
Echinococcus multilocularis ubiquitin 0.0013 0.0109 0.0188
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0043 0.0074
Brugia malayi hypothetical protein 0.001 0.0033 0.0053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.031 0.0499
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0043 0.0074
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0418 0.0717
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.031 0.0499
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0418 0.0671
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0033 0.0057
Loa Loa (eye worm) SMO-1 protein 0.0037 0.0828 0.133
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0043 0.0074
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0418 0.3449
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.031 0.0499
Brugia malayi hypothetical protein 0.0011 0.0043 0.0069
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0418 0.3449
Schistosoma mansoni nuclear hormone receptor 0.002 0.031 0.0533
Entamoeba histolytica ubiquitin like protein 0.0037 0.0828 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.6225 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.031 0.0533
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0418 0.0717
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.031 0.0533
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.031 0.0499
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0418 0.0717
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.031 0.0499
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0043 0.0074
Brugia malayi hypothetical protein 0.0011 0.0043 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.031 0.0499
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0418 0.4295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.031 0.0499
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.031 0.0499
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0043 0.0074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0033 0.0057
Brugia malayi steroid hormone receptor 0.002 0.031 0.0499
Echinococcus granulosus Small ubiquitin modifier 2 0.0037 0.0828 0.1421
Onchocerca volvulus 0.002 0.031 0.0499
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0043 0.0069
Trypanosoma cruzi small ubiquitin protein, putative 0.0037 0.0828 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0053
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.031 0.0533
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.031 0.0499
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0418 0.0717
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0828 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0043 0.0069
Leishmania major small ubiquitin protein, putative 0.0037 0.0828 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.031 0.0499
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 1 1
Schistosoma mansoni dishevelled 0.0011 0.0043 0.0074
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0043 0.0069
Onchocerca volvulus 0.0011 0.0043 0.0069
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.031 0.0533
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.6225 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.031 0.0533
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.031 0.0533
Onchocerca volvulus Bile acid receptor homolog 0.002 0.031 0.0499
Schistosoma mansoni coup transcription factor 0.002 0.031 0.0533
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.031 0.0533
Echinococcus granulosus ubiquitin 0.0013 0.0109 0.0188
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.031 0.0533
Schistosoma mansoni dep domain containing protein 0.0011 0.0043 0.0074
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.031 0.0533
Schistosoma mansoni DNA polymerase eta 0.0023 0.0418 0.0717
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.031 0.0499
Schistosoma mansoni thyroid hormone receptor 0.002 0.031 0.0533
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0418 0.0671
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0053
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.031 0.0533
Echinococcus multilocularis FTZ F1 alpha 0.002 0.031 0.0533
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.031 0.0533
Brugia malayi Steroid receptor seven-up type 2 0.002 0.031 0.0499
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.031 0.0499
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.031 0.0533
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0418 0.0717
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.031 0.0533
Giardia lamblia Sentrin 0.0037 0.0828 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0418 0.4295
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0418 0.3449
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.031 0.0499
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0043 0.0069
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Echinococcus granulosus dna polymerase kappa 0.0023 0.0418 0.0717
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0053
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0043 0.0074
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.031 0.0533
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 1 1
Brugia malayi N-terminal motif family protein 0.0218 0.6225 1
Treponema pallidum hypothetical protein 0.0345 1 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0033 0.0053
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.031 0.0533
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0033 0.0057
Trypanosoma brucei small ubiquitin-related modifier 0.0037 0.0828 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0043 0.0074
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.031 0.0533
Echinococcus multilocularis geminin 0.0205 0.5826 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.031 0.0499
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.031 0.0499
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0033 0.0053
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Echinococcus multilocularis Small ubiquitin modifier 2 0.0037 0.0828 0.1421
Schistosoma mansoni thyroid hormone receptor 0.002 0.031 0.0533
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.031 0.0533
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0053
Brugia malayi hypothetical protein 0.0013 0.0109 0.0176
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0418 0.3449
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.031 0.0533
Trypanosoma cruzi small ubiquitin protein, putative 0.0037 0.0828 1
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0499
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0043 0.0069
Brugia malayi Ubiquitin-like protein SMT3 0.0037 0.0828 0.133
Brugia malayi hypothetical protein 0.001 0.0033 0.0053
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0043 0.0074
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0418 0.4295
Schistosoma mansoni hypothetical protein 0.0205 0.5826 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 5.92 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence resonance energy transfer assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 12.4 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 44 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 50.1 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1458 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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