Detailed information for compound 82863

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.367 | Formula: C17H22N2O5
  • H donors: 3 H acceptors: 3 LogP: 2.28 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCNC(=O)c1cc2c(o1)ccc(c2)OC
  • InChi: 1S/C17H22N2O5/c1-23-13-7-8-14-12(10-13)11-15(24-14)17(21)18-9-5-3-2-4-6-16(20)19-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,18,21)(H,19,20)
  • InChiKey: IHEZEPRAHZKUAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2462 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.139 0.1229
Echinococcus multilocularis histone deacetylase 7 0.0073 0.23 0.318
Plasmodium falciparum histone deacetylase, putative 0.0073 0.23 0.9212
Echinococcus multilocularis histone deacetylase 3 0.0077 0.2462 0.3425
Echinococcus granulosus histone deacetylase 6 0.0073 0.23 0.318
Schistosoma mansoni hypothetical protein 0.0148 0.5419 0.7882
Brugia malayi histone deacetylase 11 0.0022 0.0184 0.0184
Echinococcus granulosus histone deacetylase 3 0.0077 0.2462 0.3425
Leishmania major histone deacetylase, putative 0.0073 0.23 0.9212
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.2462 0.5
Echinococcus granulosus histone deacetylase 6 0.0073 0.23 0.318
Echinococcus granulosus histone deacetylase 6 0.0073 0.23 0.318
Schistosoma mansoni histone deacetylase 0.0077 0.2462 0.343
Plasmodium vivax histone deacetylase, putative 0.0073 0.23 0.9286
Brugia malayi hypothetical protein 0.0039 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0177 0.6628 0.6565
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0398 0.0939
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0878 0.1043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0182 0.6836 1
Trypanosoma brucei histone deacetylase 3 0.0073 0.23 0.9286
Toxoplasma gondii histone deacetylase HDAC1 0.0073 0.23 0.9286
Echinococcus multilocularis histone deacetylase 6 0.0073 0.23 0.318
Brugia malayi hypothetical protein 0.0027 0.0398 0.0398
Leishmania major histone deacetylase, putative 0.0077 0.2462 1
Trypanosoma cruzi histone deacetylase, putative 0.0073 0.23 0.9286
Schistosoma mansoni jun-related protein 0.0148 0.5419 0.7882
Echinococcus multilocularis geminin 0.0182 0.6826 0.9986
Brugia malayi Histone deacetylase 1 0.0077 0.2462 0.2462
Giardia lamblia Histone deacetylase 0.0077 0.2462 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0073 0.23 0.9286
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.2462 0.2321
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.4595 0.4494
Trypanosoma cruzi histone deacetylase, putative 0.0073 0.23 0.9286
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.2462 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0878 0.1043
Echinococcus multilocularis histone deacetylase 0.0073 0.23 0.318
Plasmodium falciparum histone deacetylase 2 0.0073 0.23 0.9212
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.2462 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2462 0.5
Trypanosoma brucei histone deacetylase 1 0.0077 0.2462 1
Echinococcus granulosus histone deacetylase 7 0.0073 0.23 0.318
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2462 0.5
Loa Loa (eye worm) histone deacetylase 7A 0.0073 0.23 0.2155
Loa Loa (eye worm) pax transcription factor protein 2 0.0259 1 1
Echinococcus multilocularis histone deacetylase 1 0.0077 0.2462 0.3425
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.2462 1
Schistosoma mansoni histone deacetylase 4 5 0.0073 0.23 0.3185
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0398 0.0939
Schistosoma mansoni histone deacetylase hda2 0.0073 0.23 0.3185
Schistosoma mansoni histone deacetylase 0.0077 0.2462 0.343
Leishmania major histone deacetylase, putative 0.0077 0.2462 1
Schistosoma mansoni histone deacetylase 4 5 0.0073 0.23 0.3185
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.4595 0.4494
Loa Loa (eye worm) hypothetical protein 0.0027 0.0398 0.0218
Echinococcus granulosus histone deacetylase 1 0.0077 0.2462 0.3425
Brugia malayi bZIP transcription factor family protein 0.0182 0.6836 0.6836
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0398 0.0939
Trypanosoma brucei histone deacetylase, putative 0.0073 0.23 0.9286
Loa Loa (eye worm) hypothetical protein 0.0077 0.2462 0.2321
Brugia malayi MH2 domain containing protein 0.0128 0.4595 0.4595
Entamoeba histolytica histone deacetylase, putative 0.0077 0.2462 1
Schistosoma mansoni hypothetical protein 0.0182 0.6826 1
Loa Loa (eye worm) histone deacetylase 0.0073 0.23 0.2155
Trypanosoma brucei histone deacetylase 4 0.0073 0.23 0.9286
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.2462 0.2462
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2462 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.139 0.1229
Plasmodium vivax histone deacetylase 2, putative 0.0073 0.23 0.9286
Echinococcus granulosus geminin 0.0182 0.6826 0.9986
Echinococcus multilocularis histone deacetylase 6 0.0073 0.23 0.318
Onchocerca volvulus 0.0259 1 1
Schistosoma mansoni hypothetical protein 0.0182 0.6826 1
Brugia malayi Histone deacetylase family protein 0.0073 0.23 0.23
Brugia malayi hypothetical protein 0.0143 0.5212 0.5212
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.2462 0.5
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.2462 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0182 0.6836 1
Onchocerca volvulus 0.0143 0.5212 0.5122
Brugia malayi Histone deacetylase family protein 0.0073 0.23 0.23
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.2462 1
Plasmodium falciparum histone deacetylase 1 0.0077 0.2462 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0398 0.0939
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.2462 0.2321
Echinococcus granulosus jun protein 0.0182 0.6836 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0878 0.1045
Echinococcus multilocularis jun protein 0.0182 0.6836 1
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.2462 1
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2462 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0398 0.0939
Echinococcus granulosus histone deacetylase 0.0073 0.23 0.318
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.2462 0.2462
Leishmania major histone deacetylase, putative 0.0073 0.23 0.9212
Echinococcus multilocularis histone deacetylase 6 0.0073 0.23 0.318
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.2462 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0878 0.1045

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 nM Inhibitory concentration against human histone deacetylase ChEMBL. 14613312
IC50 (binding) = 15 nM Inhibitory activity was tested against histone deacetylase (HDAC). ChEMBL. 12749893
IC50 (binding) = 15 nM Inhibitory concentration against human histone deacetylase ChEMBL. 14613312
IC50 (binding) = 15 nM Inhibitory activity was tested against histone deacetylase (HDAC). ChEMBL. 12749893
IC50 (functional) = 300 nM Inhibitory concentration against MDA-435 cells proliferation ChEMBL. 14613312
IC50 (functional) = 300 nM Inhibitory concentration against MDA-435 cells proliferation ChEMBL. 14613312
IC50 (functional) = 380 nM Inhibitory concentration against HT-1080 cells proliferation ChEMBL. 14613312
IC50 (functional) = 380 nM Inhibitory concentration against HT-1080 cells proliferation ChEMBL. 14613312
IC50 (functional) = 0.3 uM Antiproliferative activity against MDA-435 (human breast carcinoma) cell line. ChEMBL. 12749893
IC50 (functional) = 0.3 uM Antiproliferative activity against MDA-435 (human breast carcinoma) cell line. ChEMBL. 12749893
IC50 (functional) = 0.38 uM Antiproliferative activity against HT-1080 (human fibrosarcoma) cell line. ChEMBL. 12749893
IC50 (functional) = 0.38 uM Antiproliferative activity against HT-1080 (human fibrosarcoma) cell line. ChEMBL. 12749893

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12749893

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

No external resources registered for this compound

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.