Detailed information for compound 212420

Basic information

Technical information
  • TDR Targets ID: 212420
  • Name: 6-(2-hydroxyethyl)indeno[1,2-c]isoquinoline-5 ,11-dione
  • MW: 291.301 | Formula: C18H13NO3
  • H donors: 1 H acceptors: 3 LogP: 1.7 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2
  • InChi: 1S/C18H13NO3/c20-10-9-19-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(19)22/h1-8,20H,9-10H2
  • InChiKey: UHXGJXGJNJTBRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(2-hydroxyethyl)indeno[1,2-c]isoquinoline-5,11-quinone
  • 6-(2-hydroxyethyl)indeno[3,2-c]isoquinoline-5,11-dione
  • 6-(2-hydroxyethyl)indeno[3,2-c]isoquinoline-5,11-quinone
  • 81721-79-1
  • 6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione
  • AIDS-129271
  • 6-(2-Hydroxyethyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione
  • NSC339705
  • NSC 339705
  • 5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(2-hydroxyethyl)-
  • NCI60_003019
  • AIDS129271

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
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 flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
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
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1286 0.1257
Brugia malayi gonadotropin-releasing hormone receptor 2 0.002 0.0033 0.0108
Brugia malayi G protein-coupled receptor F59B2.13 0.002 0.0033 0.0108
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1861 0.6054
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0198 0.0165
Onchocerca volvulus 0.002 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0583 0.1809
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0583 0.2319
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0198 0.5
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.002 0.0033 0.0108
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1924 0.6219
Brugia malayi putative neuropeptide receptor NPR1 0.002 0.0033 0.0108
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.002 0.0033 0.0108
Brugia malayi neuropeptide F receptor 0.002 0.0033 0.0108
Echinococcus granulosus dna polymerase eta 0.0054 0.1861 0.1833
Entamoeba histolytica hypothetical protein 0.0043 0.1286 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1924 0.1897
Entamoeba histolytica hypothetical protein 0.0043 0.1286 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi ORL1-like opioid receptor 0.002 0.0033 0.0108
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0638 1
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi larval opioid receptor 0.002 0.0033 0.0108
Brugia malayi Serotonin receptor 0.002 0.0033 0.0108
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0198 0.0643
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3073 1
Onchocerca volvulus 0.002 0.0033 0.5
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0638 0.1335
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0638 0.2647
Loa Loa (eye worm) RNA binding protein 0.0076 0.3073 1
Brugia malayi neuropeptide F receptor 0.002 0.0033 0.0108
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0198 0.5
Schistosoma mansoni DNA polymerase eta 0.0054 0.1861 0.1833
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3073 0.305
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1924 0.1897
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1924 0.1897
Echinococcus multilocularis dna polymerase eta 0.0054 0.1861 0.1833
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.002 0.0033 0.0108
Onchocerca volvulus 0.002 0.0033 0.5
Brugia malayi G-protein coupled receptor 0.002 0.0033 0.0108
Leishmania major DNA polymerase eta, putative 0.0054 0.1861 1
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi Melatonin receptor type 1A 0.002 0.0033 0.0108
Brugia malayi Tachykinin-like peptides receptor 99D 0.002 0.0033 0.0108
Brugia malayi Dopamine receptor 0.002 0.0033 0.0108
Brugia malayi hypothetical protein 0.003 0.0583 0.1898
Onchocerca volvulus 0.002 0.0033 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0583 0.2319
Onchocerca volvulus 0.002 0.0033 0.5
Onchocerca volvulus 0.002 0.0033 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1924 0.1897
Echinococcus granulosus tar DNA binding protein 0.0076 0.3073 0.305
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1286 0.1257
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1861 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3073 0.305
Entamoeba histolytica hypothetical protein 0.0043 0.1286 1
Brugia malayi Dopamine receptor protein 1 0.002 0.0033 0.0108
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Echinococcus granulosus dna polymerase kappa 0.0023 0.0198 0.0165
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0198 0.0165
Echinococcus multilocularis geminin 0.0205 1 1
Brugia malayi Dopamine receptor protein 2 0.002 0.0033 0.0108
Onchocerca volvulus 0.002 0.0033 0.5
Brugia malayi putative neuropeptide receptor 0.002 0.0033 0.0108
Echinococcus granulosus flap endonuclease 1 0.0031 0.0638 0.0607
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3073 0.305
Brugia malayi hypothetical protein 0.0043 0.1286 0.4186
Brugia malayi RNA binding protein 0.0076 0.3073 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0992 0.4775
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3073 1
Onchocerca volvulus 0.002 0.0033 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.002 0.0033 0.5
Leishmania major DNA polymerase eta, putative 0.0038 0.0992 0.4775
Schistosoma mansoni flap endonuclease-1 0.0028 0.0474 0.0443
Brugia malayi sulfakinin receptor protein 0.002 0.0033 0.0108
Onchocerca volvulus 0.002 0.0033 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0198 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0992 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0198 0.5
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0638 1
Onchocerca volvulus 0.002 0.0033 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3073 0.305
Brugia malayi G protein-coupled receptor 0.002 0.0033 0.0108
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1861 1
Leishmania major hypothetical protein, conserved 0.003 0.0583 0.2319
Onchocerca volvulus 0.002 0.0033 0.5
Brugia malayi G-protein coupled receptor 0.002 0.0033 0.0108
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0198 0.0165
Brugia malayi follicle stimulating hormone receptor 0.002 0.0033 0.0108
Brugia malayi AKH receptor 0.002 0.0033 0.0108
Brugia malayi RE15519p 0.002 0.0033 0.0108
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0638 0.2647
Plasmodium falciparum flap endonuclease 1 0.0031 0.0638 1
Onchocerca volvulus 0.002 0.0033 0.5
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Onchocerca volvulus 0.002 0.0033 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.1286 0.1257
Brugia malayi GnHR receptor homolog 0.002 0.0033 0.0108
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1286 0.1257
Onchocerca volvulus 0.002 0.0033 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0638 1
Onchocerca volvulus 0.002 0.0033 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0638 0.2647
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1924 0.1897
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3073 0.305
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0638 0.0607
Onchocerca volvulus 0.002 0.0033 0.5
Onchocerca volvulus 0.002 0.0033 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1924 0.1897
Brugia malayi TAR-binding protein 0.0076 0.3073 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.002 0.0033 0.0108
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0638 0.4043
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0198 0.0165
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0638 0.1989
Brugia malayi Serotonin receptor 0.002 0.0033 0.0108
Brugia malayi Flap endonuclease-1 0.0031 0.0638 0.2075
Loa Loa (eye worm) hypothetical protein 0.0054 0.1861 0.6011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1924 0.1897
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0198 0.0165
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3073 0.305
Entamoeba histolytica hypothetical protein 0.0043 0.1286 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0583 0.2319
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0198 0.0541
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3073 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1924 0.626
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.002 0.0033 0.5
Brugia malayi hypothetical protein 0.002 0.0033 0.0108
Brugia malayi hypothetical protein 0.002 0.0033 0.0108

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0 Inhibitory activity against human DNA topoisomerase I mediated DNA cleavage; Weak activity ChEMBL. 11020283
DNA cleavage (binding) 0 Induction of topoisomerase I mediated DNA cleavage; Activity similar to parent compound 1 ChEMBL. 15509164
GI50 (functional) -5.664 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.619 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.392 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.055 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.976 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.965 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.87 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.851 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.576 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.53 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.286 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) = 4.95 uM Antiproliferative activity was determined for 50% growth inhibition against human colon HCT-116 cell line ChEMBL. 11020283
GI50 (functional) = 4.95 uM Growth inhibitory activity of the compound against human colon HCT-116 cell line ChEMBL. 15509164
GI50 (functional) = 4.95 uM Antiproliferative activity was determined for 50% growth inhibition against human colon HCT-116 cell line ChEMBL. 11020283
GI50 (functional) = 4.95 uM Growth inhibitory activity of the compound against human colon HCT-116 cell line ChEMBL. 15509164
GI50 (functional) = 5.62 uM Antiproliferative activity was determined for 50% growth inhibition against human lung HOP-62 cell line ChEMBL. 11020283
GI50 (functional) = 5.62 uM Growth inhibitory activity of the compound against human lung HOP-62 cell line ChEMBL. 15509164
GI50 (functional) = 5.62 uM Antiproliferative activity was determined for 50% growth inhibition against human lung HOP-62 cell line ChEMBL. 11020283
GI50 (functional) = 5.62 uM Growth inhibitory activity of the compound against human lung HOP-62 cell line ChEMBL. 15509164
GI50 (functional) = 12.2 uM Antiproliferative activity was determined for 50% growth inhibition against human CNS SF-539 cell line ChEMBL. 11020283
GI50 (functional) = 12.2 uM Growth inhibitory activity of the compound against human CNSSF-539 cell line ChEMBL. 15509164
GI50 (functional) = 12.2 uM Antiproliferative activity was determined for 50% growth inhibition against human CNS SF-539 cell line ChEMBL. 11020283
GI50 (functional) = 16.4 uM Antiproliferative activity was determined for 50% growth inhibition against human renal SN12C cell line ChEMBL. 11020283
GI50 (functional) = 16.4 uM Antiproliferative activity was determined for 50% growth inhibition against human Prostate DU-145 cell line ChEMBL. 11020283
GI50 (functional) = 16.4 uM Growth inhibitory activity of the compound against human renal SN12C cell line ChEMBL. 15509164
GI50 (functional) = 16.4 uM Growth inhibitory activity of the compound against human prostate DU-145 cell line ChEMBL. 15509164
GI50 (functional) = 16.4 uM Antiproliferative activity was determined for 50% growth inhibition against human renal SN12C cell line ChEMBL. 11020283
GI50 (functional) = 16.4 uM Antiproliferative activity was determined for 50% growth inhibition against human Prostate DU-145 cell line ChEMBL. 11020283
GI50 (functional) = 16.4 uM Growth inhibitory activity of the compound against human renal SN12C cell line ChEMBL. 15509164
GI50 (functional) = 16.4 uM Growth inhibitory activity of the compound against human prostate DU-145 cell line ChEMBL. 15509164
GI50 (functional) = 18.2 uM Antiproliferative activity was determined for 50% growth inhibition against human melanoma UACC-62 cell line ChEMBL. 11020283
GI50 (functional) = 18.2 uM Growth inhibitory activity of the compound against human melanoma UACC-62 cell line ChEMBL. 15509164
GI50 (functional) = 18.2 uM Antiproliferative activity was determined for 50% growth inhibition against human melanoma UACC-62 cell line ChEMBL. 11020283
GI50 (functional) = 18.2 uM Growth inhibitory activity of the compound against human melanoma UACC-62 cell line ChEMBL. 15509164
GI50 (functional) = 74.2 uM Antiproliferative activity was determined for 50% growth inhibition against human ovarian OVCAR-3 cell line ChEMBL. 11020283
GI50 (functional) = 74.2 uM Growth inhibitory activity of the compound against human ovarian OVCAR-3 cell line ChEMBL. 15509164
GI50 (functional) = 74.2 uM Antiproliferative activity was determined for 50% growth inhibition against human ovarian OVCAR-3 cell line ChEMBL. 11020283
GI50 (functional) = 74.2 uM Growth inhibitory activity of the compound against human ovarian OVCAR-3 cell line ChEMBL. 15509164
GI50 (functional) = 76.7 uM Antiproliferative activity was determined for 50% growth inhibition against human breast MDA-MB-435 cell line ChEMBL. 11020283
GI50 (functional) = 76.7 uM Growth inhibitory activity of the compound against human breast MDA-MB-435 cell line ChEMBL. 15509164
GI50 (functional) = 76.7 uM Antiproliferative activity was determined for 50% growth inhibition against human breast MDA-MB-435 cell line ChEMBL. 11020283
GI50 (functional) = 76.7 uM Growth inhibitory activity of the compound against human breast MDA-MB-435 cell line ChEMBL. 15509164
IC50 (binding) > 111 uM Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed as prevention of generation of oligonucleotide with free 3'-phosphate after 15 mins by PAGE analysis ChEMBL. 22536944
Mean graph mid point (functional) = 14.5 Mean graph mid point for growth inhibition of human cancer cell lines ChEMBL. 15509164
MGM (functional) = 14.5 Mean graph midpoint for growth inhibition of all human cancer cell lines ChEMBL. 11020283
Potency (functional) 0.7943 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) 3.6626 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.9125 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) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 15.003 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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