Detailed information for compound 1630526

Basic information

Technical information
  • TDR Targets ID: 1630526
  • Name: MLS001003216
  • MW: 485.511 | Formula: C26H19N3O5S
  • H donors: 2 H acceptors: 5 LogP: 3.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)CN1c2cccc3c2c(S1(=O)=O)ccc3)N/N=C/c1ccc(cc1)C(=O)O
  • InChi: 1S/C26H19N3O5S/c30-25(28-27-15-17-7-13-21(14-8-17)26(31)32)20-11-9-18(10-12-20)16-29-22-5-1-3-19-4-2-6-23(24(19)22)35(29,33)34/h1-15H,16H2,(H,28,30)(H,31,32)/b27-15+
  • InChiKey: AAKOYCVQAYQRIG-JFLMPSFJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000372853

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SUMO1 activating enzyme subunit 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens plectin Starlite/ChEMBL No references
Human immunodeficiency virus 1 Envelope glycoprotein gp160 Starlite/ChEMBL No references
Homo sapiens ubiquitin-like modifier activating enzyme 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei SUMO-activating enzyme subunit 1, putative Get druggable targets OG5_128859 All targets in OG5_128859
Trypanosoma cruzi ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma japonicum Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, putative Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10684 ubiquitin-like 1-activating enzyme E1 A, putative Get druggable targets OG5_128859 All targets in OG5_128859
Leishmania major ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma congolense ubiquitin-activating enzyme E1, putative Get druggable targets OG5_127838 All targets in OG5_127838
Babesia bovis conserved hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) spectraplakin Get druggable targets OG5_127704 All targets in OG5_127704
Trypanosoma cruzi ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Theileria parva hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Brugia malayi Growth-Arrest-Specific Protein 2 Domain containing protein Get druggable targets OG5_127704 All targets in OG5_127704
Plasmodium yoelii related to ubiquitin-activating enzyme homolog UBA2-related Get druggable targets OG5_127838 All targets in OG5_127838
Babesia bovis ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Brugia malayi ThiF family protein Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma japonicum ko:K10382 dystonin, putative Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127704 All targets in OG5_127704
Plasmodium knowlesi SUMO-activating enzyme subunit 1, putative Get druggable targets OG5_128859 All targets in OG5_128859
Echinococcus granulosus sumo-activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Candida albicans similar to S. cerevisiae AOS1 (YPR180W) which mediates conjugation of ubiquitin-like Smt3p (sumoylation) to target proteins Get druggable targets OG5_128859 All targets in OG5_128859
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Echinococcus granulosus Spectrin alpha actinin Get druggable targets OG5_127704 All targets in OG5_127704
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis SUMO activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Brugia malayi VAB-10A protein Get druggable targets OG5_127704 All targets in OG5_127704
Plasmodium vivax ubiquitin activating enzyme, putative Get druggable targets OG5_128859 All targets in OG5_128859
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma mansoni ubiquitin-activating enzyme E1b Get druggable targets OG5_127838 All targets in OG5_127838
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium falciparum SUMO-activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Theileria parva hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Plasmodium knowlesi SUMO-activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Candida albicans similar to S. cerevisiae AOS1 (YPR180W) which mediates conjugation of ubiquitin-like Smt3p (sumoylation) to target proteins Get druggable targets OG5_128859 All targets in OG5_128859
Leishmania braziliensis ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma japonicum expressed protein Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus multilocularis Spectrin alpha actinin Get druggable targets OG5_127704 All targets in OG5_127704
Plasmodium falciparum SUMO-activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Candida albicans similar to Uba1 (Ub-activating enzyme) Get druggable targets OG5_127838 All targets in OG5_127838
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus granulosus SUMO activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
Schistosoma japonicum IPR001101,Plectin repeat,domain-containing Get druggable targets OG5_127704 All targets in OG5_127704
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense ubiquitin-activating enzyme e1, putative Get druggable targets OG5_127838 All targets in OG5_127838
Plasmodium vivax SUMO-activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Neospora caninum hypothetical protein Get druggable targets OG5_128859 All targets in OG5_128859
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis SUMO activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Giardia lamblia Ubiquitin-activating enzyme E1 1 Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma brucei ubiquitin-activating enzyme E1, putative Get druggable targets OG5_127838 All targets in OG5_127838
Brugia malayi ThiF family protein Get druggable targets OG5_127838 All targets in OG5_127838
Cryptosporidium hominis SUMO-1 activating enzyme subunit 2 Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma japonicum expressed protein Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma japonicum Bullous pemphigoid antigen 1, isoforms 6/7, putative Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma japonicum ko:K10685 ubiquitin-like 1-activating enzyme E1 B, putative Get druggable targets OG5_127838 All targets in OG5_127838
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Neospora caninum AFR138Wp, related Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania mexicana ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma mansoni sumo-1-activating enzyme E1a Get druggable targets OG5_128859 All targets in OG5_128859
Cryptosporidium parvum SUMO-1 activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Entamoeba histolytica ubiquitin-activating enzyme, putative Get druggable targets OG5_127838 All targets in OG5_127838
Toxoplasma gondii ThiF family protein Get druggable targets OG5_127838 All targets in OG5_127838
Trypanosoma cruzi kinetoplast DNA-associated protein, putative Get druggable targets OG5_127704 All targets in OG5_127704
Candida albicans similar to Uba1 (Ub-activating enzyme) Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma japonicum Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, putative Get druggable targets OG5_127704 All targets in OG5_127704
Loa Loa (eye worm) ThiF family protein Get druggable targets OG5_127838 All targets in OG5_127838
Leishmania infantum ubiquitin-activating enzyme-like protein Get druggable targets OG5_127838 All targets in OG5_127838
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma mansoni sumo-1-activating enzyme E1a Get druggable targets OG5_128859 All targets in OG5_128859
Plasmodium berghei SUMO-activating enzyme subunit 2, putative Get druggable targets OG5_127838 All targets in OG5_127838
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii SUMO-1 activating enzyme subunit 1 Get druggable targets OG5_128859 All targets in OG5_128859
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis mitogen activated protein kinase 0.0116 0.1017 0.0825
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1017 1
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1017 1
Schistosoma mansoni hypothetical protein 0.0043 0.0254 0.0553
Brugia malayi ThiF family protein 0.0058 0.0417 0.2565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0386 0.2182
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0018 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1017 1
Treponema pallidum hypothetical protein 0.0345 0.3397 0.5
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.3397 0.5
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.3397 1
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0038 0.021 0.206
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.1017 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0386 0.018
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.3397 0.5
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0058 0.0417 0.065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0386 0.2182
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0116 0.1017 1
Brugia malayi MAP kinase sur-1 0.0116 0.1017 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0116 0.1017 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0386 0.2182
Loa Loa (eye worm) hypothetical protein 0.0043 0.0254 0.0553
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0116 0.1017 1
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0058 0.0417 0.2565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0386 0.2182
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.3397 0.5
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0053 0.0361 0.1876
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.3397 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0386 0.2182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0386 0.018
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0116 0.1017 1
Brugia malayi VAB-10A protein 0.0043 0.0254 0.0553
Echinococcus multilocularis Spectrin alpha actinin 0.0043 0.0254 0.0046
Echinococcus granulosus mitogen activated protein kinase 3 0.0116 0.1017 1
Trypanosoma brucei protein kinase, putative 0.0116 0.1017 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0386 0.2182
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0058 0.0417 0.2565
Echinococcus granulosus mitogen activated protein kinase 0.0116 0.1017 1
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0033 0.0154 0.1513
Echinococcus multilocularis mitogen activated protein kinase 3 0.0116 0.1017 0.0825
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0386 0.2182
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0116 0.1017 1
Brugia malayi Growth-Arrest-Specific Protein 2 Domain containing protein 0.0043 0.0254 0.0552
Plasmodium vivax ubiquitin activating enzyme, putative 0.0058 0.0417 0.065
Giardia lamblia Kinase, CMGC MAPK 0.0116 0.1017 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0417 0.2565
Schistosoma mansoni hypothetical protein 0.0043 0.0254 0.0552
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0058 0.0417 0.0212
Trypanosoma cruzi kinetoplast DNA-associated protein, putative 0.0043 0.0254 0.2499
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0116 0.1017 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0116 0.1017 1
Loa Loa (eye worm) spectraplakin 0.0043 0.0254 0.0552
Toxoplasma gondii hypothetical protein 0.0058 0.0417 0.2565
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0116 0.1017 1
Echinococcus granulosus Spectrin alpha actinin 0.0043 0.0254 0.0553
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0116 0.1017 1
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1017 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 5.94 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) = 10.93 uM PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2006, AID2011, AID2069, AID2614, AID2658] ChEMBL. No reference
IC50 (binding) = 11.05 uM PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658] ChEMBL. No reference
IC50 (binding) = 18.2503 uM PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
IC50 (binding) = 19.7 uM PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967] ChEMBL. No reference
IC50 (functional) 27.2 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 (binding) > 200 uM PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the binding of Siah-1 and a peptide ligand via a fluorescence polarization assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1826, AID2127, AID2141] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory screen for the Siah-1 primary assay utilizing an alternative fluorophore, fluorescein-labeled plectin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
Potency (functional) 0.0026 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) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.1198 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.3679 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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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