Detailed information for compound 1280540

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 469.508 | Formula: C27H19NO5S
  • H donors: 1 H acceptors: 4 LogP: 4.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2ccc(cc2S(=O)(=O)c2c1c(ccc2)C(=O)NCc1ccco1)/C=C/c1ccccc1
  • InChi: 1S/C27H19NO5S/c29-26-21-14-13-19(12-11-18-6-2-1-3-7-18)16-24(21)34(31,32)23-10-4-9-22(25(23)26)27(30)28-17-20-8-5-15-33-20/h1-16H,17H2,(H,28,30)/b12-11+
  • InChiKey: IVVZZIIZFLUBDY-VAWYXSNFSA-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 glutaminase Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV 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
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani 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
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis DNA polymerase IV / 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 DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase kappa, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
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
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus granulosus dna polymerase kappa 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 braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis 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
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV 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 ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis dna polymerase kappa 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
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
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
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
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
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Giardia lamblia DINP protein human, muc B family 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 glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma cruzi 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 DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
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 %
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1539 0.3638
Loa Loa (eye worm) hypothetical protein 0.0284 0.2434 0.3485
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0074 0.0146 0.0029
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0157 0.1049 0.2628
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0073 0.0135 0.0339
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0344 0.3089 0.7658
Trichomonas vaginalis DNA polymerase eta, putative 0.0073 0.0138 0.0007
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.3094 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0074 0.0146 0.0055
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0427 0.3992 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0332 0.2962 0.7338
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0157 0.1049 0.237
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.2434 0.6097
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0073 0.0135 0.0015
Echinococcus granulosus serine protein kinase ATM 0.0073 0.0135 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0332 0.2962 0.733
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0073 0.0135 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0411 0.0716
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0074 0.0146 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0645 0.1322
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0427 0.3992 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0785 0.7887 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Loa Loa (eye worm) phosphatidylinositol 3 0.0702 0.6984 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.0138 0.0038
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.3094 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0073 0.0138 0.0007
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0074 0.0146 0.0366
Toxoplasma gondii non-specific serine/threonine protein kinase 0.008 0.0211 0.039
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0427 0.3992 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0119 0.0645 0.1838
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0124 0.0693 0.1473
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0332 0.2962 0.733
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0427 0.3992 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.03 0.2607 0.6409
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1356 0.3164
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0785 0.7887 0.7861
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0157 0.1049 0.237
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0332 0.2962 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0332 0.2962 0.3657
Trichomonas vaginalis glutaminase, putative 0.033 0.2937 0.7264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.2249 0.548
Schistosoma mansoni fkbp-rapamycin associated protein 0.0073 0.0135 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0332 0.2962 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1358 0.3171
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0119 0.0645 0.2039
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0332 0.2962 0.2874
Trypanosoma brucei DNA polymerase eta, putative 0.0072 0.0123 0.0247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1358 0.3171
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0119 0.0645 0.0672
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0157 0.1049 0.3428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.1559 0.3692
Schistosoma mansoni glutaminase 0.033 0.2937 0.3624
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0074 0.0146 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.1739 0.4159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.1559 0.3692
Leishmania major phosphatidylinositol 3-kinase, putative 0.0074 0.0146 0.0079
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0073 0.0135 0.0339
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0332 0.2962 0.742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0645 0.1322
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0211 0.0195
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0073 0.0135 0.0031
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0074 0.0146 0.0058
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0074 0.0146 0.0055
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0074 0.0146 0.0325
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0427 0.3992 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Toxoplasma gondii target of rapamycin (TOR), putative 0.025 0.2069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.2249 0.548
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0074 0.0146 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0332 0.2962 0.733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.1815 0.4354
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.2453 0.6008
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.03 0.2607 0.6409
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.3094 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Brugia malayi glutaminase DH11.1 0.033 0.2937 0.7357
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Giardia lamblia GTOR 0.0332 0.2962 1
Entamoeba histolytica hypothetical protein 0.0344 0.3089 0.7658
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0073 0.0135 0.0012
Loa Loa (eye worm) glutaminase 0.033 0.2937 0.4205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.2249 0.548
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0073 0.0135 0.0288
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0785 0.7887 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0074 0.0146 0.0029
Echinococcus granulosus geminin 0.0205 0.1572 0.1865
Loa Loa (eye worm) glutaminase 2 0.033 0.2937 0.4205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0645 0.1322
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0201 0.1531 0.3619
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.0138 0.0038
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0157 0.1049 0.2393
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.0138 0.0298
Trypanosoma cruzi target of rapamycin kinase 3 0.0267 0.2252 0.5502
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Treponema pallidum hypothetical protein 0.0345 0.3094 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0903 0.1293
Loa Loa (eye worm) phosphatidylinositol 3 0.0124 0.0693 0.0993
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0427 0.3992 1
Schistosoma mansoni hypothetical protein 0.0205 0.1572 0.1865
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.2249 0.548
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0284 0.2434 0.234
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Loa Loa (eye worm) phosphatidylinositol 3 0.0332 0.2962 0.4242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1358 0.3171
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0074 0.0146 0.0209
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0119 0.0645 0.1838
Brugia malayi ImpB/MucB/SamB family protein 0.0072 0.0123 0.0309
Echinococcus multilocularis geminin 0.0205 0.1572 0.1466
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0267 0.2252 0.7497
Loa Loa (eye worm) hypothetical protein 0.0073 0.0135 0.0194
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0119 0.0645 0.1348
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0332 0.2962 0.3657
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.0138 0.0038
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0284 0.2434 0.2976
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0119 0.0645 0.0672
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.3094 0.5
Echinococcus multilocularis Zinc finger, PHD finger 0.0074 0.0146 0.0023
Echinococcus granulosus dna polymerase kappa 0.0073 0.0138 0.0019
Loa Loa (eye worm) hypothetical protein 0.0072 0.0123 0.0177
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0332 0.2962 0.7338
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0157 0.1049 0.237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.1559 0.3692
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0074 0.0146 0.0029
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0645 0.1616
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0217 0.1704 0.4664
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0074 0.0146 0.0028
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0074 0.0146 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0645 0.1322
Echinococcus multilocularis dna polymerase kappa 0.0073 0.0138 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.2249 0.548
Schistosoma mansoni hypothetical protein 0.0205 0.1572 0.1865
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.3094 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0157 0.1049 0.237
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0332 0.2962 0.733
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0145 0.0924 0.2998
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0074 0.0146 0.0029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0645 0.1322
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0332 0.2962 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.2069 0.5014
Loa Loa (eye worm) hypothetical protein 0.0065 0.0055 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1358 0.3171
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0164 0.1125 0.3687
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0394 0.3636 0.9077
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0157 0.1049 0.1192
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0119 0.0645 0.0528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1356 0.3164
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Mycobacterium ulcerans glutaminase 0.033 0.2937 0.9467
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0157 0.1049 0.237
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0358 0.324 0.8116
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0074 0.0146 0.0079
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0427 0.3992 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0074 0.0146 0.0023
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0119 0.0645 0.1348
Loa Loa (eye worm) hypothetical protein 0.008 0.0211 0.0302
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.0138 0.0038
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0119 0.0645 0.2039
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0267 0.2252 0.7559
Trichomonas vaginalis PIKK family atypical protein kinase 0.0185 0.1356 0.3164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0332 0.2962 0.733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1539 0.3638
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.0138 0.0298
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0073 0.0135 0.0031
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.0138 0.0298
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0074 0.0146 0.0058
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0645 0.0924
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0332 0.2962 1
Echinococcus multilocularis serine protein kinase ATM 0.0073 0.0135 0.0012

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 11.5 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) 29.3 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
Potency (functional) 2.0588 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) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 23.7781 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 39.8107 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) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 56.2341 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) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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