Detailed information for compound 1448258

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 571.235 | Formula: C23H21Cl2IN2O3
  • H donors: 1 H acceptors: 1 LogP: 6.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(/C=C/c2cc[n+](cc2)C)ccc1OCC(=O)Nc1ccc(c(c1)Cl)Cl.[I-]
  • InChi: 1S/C23H20Cl2N2O3.HI/c1-27-11-9-16(10-12-27)3-4-17-5-8-21(22(13-17)29-2)30-15-23(28)26-18-6-7-19(24)20(25)14-18;/h3-14H,15H2,1-2H3;1H/b4-3+;
  • InChiKey: WRDJCOLSUBSRGG-BJILWQEISA-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
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens RAD52 homolog (S. cerevisiae) Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens transmembrane protease, serine 15 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Giardia lamblia DNA repair protein RAD52 Get druggable targets OG5_130806 All targets in OG5_130806
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Wolbachia endosymbiont of Brugia malayi recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Chlamydia trachomatis recombinase RecA Get druggable targets OG5_130095 All targets in OG5_130095
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. Get druggable targets OG5_130095 All targets in OG5_130095
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica DNA repair and recombination protein RAD52, putative Get druggable targets OG5_130806 All targets in OG5_130806
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Mycobacterium ulcerans recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Treponema pallidum recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. Get druggable targets OG5_130095 All targets in OG5_130095
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
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 %
Plasmodium falciparum ubiquitin-conjugating enzyme E2, putative _UBC13, UbcH-ben, UbcH13 152 aa 153 aa 32.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cdc48-like protein, putative 0.1314 0.6054 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0028 0.0064
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.0028 0.0047
Trypanosoma cruzi vesicular transport protein (CDC48 homologue), putative 0.0071 0.0148 0.0245
Schistosoma mansoni hypothetical protein 0.0205 0.0782 0.1216
Entamoeba histolytica vacuolar sorting protein-associating protein 4A (VPS4), putative 0.0071 0.0148 0.0229
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0573 0.2532 0.6894
Trypanosoma cruzi katanin, putative 0.0071 0.0148 0.0245
Wolbachia endosymbiont of Brugia malayi recombinase A 0.013 0.0429 0.5
Trypanosoma cruzi katanin, putative 0.0071 0.0148 0.0245
Schistosoma mansoni skd/vacuolar sorting 0.0071 0.0148 0.0225
Trypanosoma brucei katanin, putative 0.0071 0.0148 0.0245
Schistosoma mansoni hypothetical protein 0.0205 0.0782 0.1216
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0095 0.0247
Echinococcus granulosus vacuolar protein sorting associated protein 4A 0.0071 0.0148 0.0217
Echinococcus granulosus katanin p60 ATPase containing subunit A1 0.0071 0.0148 0.0217
Trypanosoma brucei katanin, putative 0.0071 0.0148 0.0245
Trypanosoma cruzi Valosin-containing protein, putative 0.1314 0.6054 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0028 0.003
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0028 0.0047
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.1314 0.6054 1
Plasmodium falciparum vacuolar protein sorting-associated protein 4 0.0071 0.0148 0.0229
Loa Loa (eye worm) VCP protein 0.0573 0.2532 0.6894
Trypanosoma brucei vacuolar protein sorting-associated protein 4, putative 0.0071 0.0148 0.0245
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.0028 0.0029
Toxoplasma gondii cell division protein CDC48CY 0.1386 0.6393 1
Entamoeba histolytica ATPase, Vps4 oligomerisation domain containing protein 0.0071 0.0148 0.0229
Loa Loa (eye worm) hypothetical protein 0.006 0.0095 0.0247
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0328 0.1366 0.2124
Brugia malayi vesicle-fusing ATPase 0.0813 0.3671 1
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.001 0.0017
Trypanosoma brucei katanin, putative 0.0071 0.0148 0.0245
Treponema pallidum recombinase A 0.013 0.0429 0.5
Echinococcus granulosus geminin 0.0205 0.0782 0.1209
Echinococcus multilocularis geminin 0.0205 0.0782 0.1209
Mycobacterium ulcerans ATPase 0.0829 0.375 1
Schistosoma mansoni transcription factor btf3 0.0042 0.001 0.0008
Trypanosoma cruzi katanin-like protein, putative 0.0071 0.0148 0.0245
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.2014 0.9381 0.9009
Trichomonas vaginalis AAA ATPase, putative 0.0071 0.0148 0.0217
Loa Loa (eye worm) hypothetical protein 0.0813 0.3671 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0573 0.2532 0.3956
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0028 0.0029
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.0028 0.0037
Loa Loa (eye worm) ICD-1 protein 0.0042 0.001 0.0014
Trichomonas vaginalis spastin, putative 0.0071 0.0148 0.0217
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0028 0.0064
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.042 0.1804 0.2968
Trypanosoma cruzi vacuolar protein sorting-associated protein 4, putative 0.0071 0.0148 0.0245
Trichomonas vaginalis skd/vacuolar sorting, putative 0.0071 0.0148 0.0217
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.0028 0.0029
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.1314 0.6054 1
Trypanosoma cruzi katanin-like protein, putative 0.0071 0.0148 0.0245
Trypanosoma brucei Valosin-containing protein 0.1314 0.6054 1
Loa Loa (eye worm) vps4b-prov protein 0.0071 0.0148 0.0391
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.0028 0.0047
Trypanosoma cruzi katanin, putative 0.0071 0.0148 0.0245
Leishmania major katanin-like protein,serine peptidase, Clan SJ, family S16, putative 0.0071 0.0148 0.0229
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0573 0.2532 0.3951
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0095 0.0247
Entamoeba histolytica hypothetical protein 0.0119 0.0377 0.0607
Trypanosoma brucei katanin, putative 0.0071 0.0148 0.0245
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1386 0.6393 1
Mycobacterium leprae Conserved hypothetical protein 0.0764 0.3441 1
Brugia malayi valosin containing protein 0.0813 0.3671 1
Brugia malayi fidgetin protein 0.0071 0.0148 0.0391
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.0028 0.003
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0028 0.003
Loa Loa (eye worm) fidgetin protein 0.0071 0.0148 0.0391
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0328 0.1366 0.2124
Brugia malayi SAP1 protein 0.0071 0.0148 0.0391
Toxoplasma gondii cell division protein CDC48AP 0.0829 0.375 0.5859
Leishmania major katanin, putative,serine peptidase, Clan SJ, family S16, putative 0.0071 0.0148 0.0229
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.0028 0.0029
Chlamydia trachomatis recombinase RecA 0.013 0.0429 0.5
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.0028 0.0064
Echinococcus multilocularis vacuolar protein sorting associated protein 4A 0.0071 0.0148 0.0217
Echinococcus multilocularis fidgetin protein 1 0.0071 0.0148 0.0217
Toxoplasma gondii katanin-like family protein 0.0071 0.0148 0.0217
Brugia malayi vps4b-prov protein 0.0071 0.0148 0.0391
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.1386 0.6393 1
Trypanosoma cruzi metalloprotease, putative 0.0071 0.0148 0.0245
Schistosoma mansoni hypothetical protein 0.0071 0.0148 0.0225
Plasmodium vivax cell division cycle ATPase, putative 0.0502 0.2193 0.3612
Trypanosoma cruzi katanin, putative 0.0071 0.0148 0.0245
Loa Loa (eye worm) ATPase 0.0071 0.0148 0.0391
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.1386 0.6393 0.5
Trypanosoma brucei vesicular transport protein (CDC48 homologue), putative 0.0071 0.0148 0.0245
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.001 0.0017
Trichomonas vaginalis skd/vacuolar sorting, putative 0.0071 0.0148 0.0217
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.001 0.0017
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0829 0.375 0.5858
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.1386 0.6393 1
Leishmania major vacuolar protein sorting-associated protein 4 0.0071 0.0148 0.0229
Trichomonas vaginalis AAA ATPase, putative 0.0071 0.0148 0.0217
Trypanosoma cruzi vacuolar transport protein 4A, putative 0.0071 0.0148 0.0245
Trypanosoma brucei metalloprotease, putative 0.0071 0.0148 0.0245
Brugia malayi beta-NAC-like protein 0.0042 0.001 0.0014
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.0028 0.0064
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.0028 0.003
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.1314 0.6054 1
Brugia malayi ATPase, AAA family protein 0.0071 0.0148 0.0391
Giardia lamblia DNA repair protein RAD52 0.042 0.1804 0.4598
Trichomonas vaginalis spermatogenesis associated factor, putative 0.1386 0.6393 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.1314 0.6054 1
Echinococcus granulosus fidgetin protein 1 0.0071 0.0148 0.0217
Giardia lamblia AAA family ATPase 0.0829 0.375 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1314 0.6054 0.9469
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.0028 0.0029
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4462 0.6975
Loa Loa (eye worm) vesicle-fusing ATPase 0.0813 0.3671 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0095 0.0247
Trypanosoma cruzi katanin, putative 0.0071 0.0148 0.0245
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0119 0.0377 0.0607
Echinococcus multilocularis katanin p60 ATPase containing subunit A1 0.0071 0.0148 0.0217
Leishmania major katanin-like protein,serine peptidase, Clan SJ, family S16, putative 0.0071 0.0148 0.0229

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 8.27 uM PubChem BioAssay. FRET-based HTS for detection of RAD52 Inhibitors Measured in Biochemical System Using Plate Reader - 7018-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AC50 (functional) > 380 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
AC50 (functional) > 380 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
EC50 (functional) = 16.515 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 17.2 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
IC50 (functional) = 7.127 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
IC50 (functional) = 7.741 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343] ChEMBL. No reference
IC50 (functional) = 22.6 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of Inhibitors of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
Potency (functional) 1.1577 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: CHOP2 Reporter Counterscreen Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2281, AID463106, AID463254] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 29.0929 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) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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) 39.8107 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) 44.6684 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 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
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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 Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 100 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) 100 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
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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