Detailed information for compound 945498

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.854 | Formula: C21H19ClN4O2
  • H donors: 3 H acceptors: 4 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)c1ccc2c(c1)CC(CC2)Nc1nccc(n1)c1cccc(c1)Cl
  • InChi: 1S/C21H19ClN4O2/c22-17-3-1-2-14(11-17)19-8-9-23-21(25-19)24-18-7-6-13-4-5-15(20(27)26-28)10-16(13)12-18/h1-5,8-11,18,28H,6-7,12H2,(H,26,27)(H,23,24,25)
  • InChiKey: BLQDCUAHMUDLRG-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 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax histone deacetylase, putative 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
Leishmania donovani 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
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein 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
Babesia bovis histone deacetylase, 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
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 2, 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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
Trypanosoma cruzi 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
Schistosoma japonicum Histone deacetylase 10, 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
Echinococcus granulosus histone deacetylase 6 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
Echinococcus granulosus histone deacetylase 7 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
Schistosoma japonicum Histone deacetylase 4, 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
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 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
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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative 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
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative 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
Loa Loa (eye worm) histone deacetylase 7A 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
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 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
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
Echinococcus granulosus histone deacetylase 6 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
Leishmania major 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
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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 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
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis 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
Schistosoma japonicum Histone deacetylase 4, 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
Schistosoma mansoni histone deacetylase 4 5 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
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0154 0.4054 0.4054
Trypanosoma cruzi histone deacetylase, putative 0.0071 0.0641 0.0641
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0154 0.4054 0.4054
Plasmodium vivax vivapain-3 0.0154 0.4054 0.4054
Giardia lamblia Hypothetical protein 0.0055 0 0.5
Echinococcus granulosus cathepsin L 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0154 0.4054 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0298 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0298 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Onchocerca volvulus 0.0298 1 1
Echinococcus granulosus histone deacetylase 6 0.0071 0.0641 0.0641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0199 0.5946 0.5946
Trypanosoma brucei histone deacetylase, putative 0.0071 0.0641 0.0641
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Loa Loa (eye worm) histone deacetylase 0.0071 0.0641 0.0641
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Echinococcus granulosus cysteine protease 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Brugia malayi Cathepsin L-like precursor 0.0298 1 1
Echinococcus granulosus histone deacetylase 0.0071 0.0641 0.0641
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0154 0.4054 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0154 0.4054 0.4054
Giardia lamblia Cathepsin L precursor 0.0055 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0154 0.4054 0.4054
Brugia malayi Cathepsin L-like precursor 0.0298 1 1
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Plasmodium vivax unspecified product 0.0154 0.4054 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0099 0.1791 0.1791
Echinococcus multilocularis histone deacetylase 0.0071 0.0641 0.0641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0154 0.4054 0.4054
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0298 1 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0055 0 0.5
Brugia malayi cathepsin L-like precursor 0.0199 0.5946 0.5946
Onchocerca volvulus 0.0298 1 1
Echinococcus multilocularis cathepsin L 0.0154 0.4054 0.4054
Trypanosoma brucei histone deacetylase 4 0.0071 0.0641 0.0641
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0099 0.1791 0.1791
Schistosoma mansoni histone deacetylase hda2 0.0078 0.0947 0.0947
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Schistosoma mansoni cathepsin s 0.0099 0.1791 0.1791
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Plasmodium vivax vivapain-2 0.0298 1 1
Echinococcus granulosus cathepsin l1 0.0199 0.5946 0.5946
Echinococcus multilocularis histone deacetylase 6 0.0078 0.0947 0.0947
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Giardia lamblia Cathepsin L precursor 0.0055 0 0.5
Plasmodium vivax histone deacetylase, putative 0.0071 0.0641 0.0641
Brugia malayi cathepsin F-like cysteine proteinase 0.0099 0.1791 0.1791
Echinococcus multilocularis cathepsin L cysteine protease 0.0298 1 1
Leishmania major cathepsin L-like protease 0.0298 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0055 0 0.5
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0055 0 0.5
Leishmania major cathepsin L-like protease 0.0298 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Echinococcus multilocularis cysteine protease 0.0298 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0154 0.4054 0.4054
Giardia lamblia Cathepsin L precursor 0.0055 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0071 0.0641 0.0641
Brugia malayi Cathepsin L-like precursor 0.0298 1 1
Leishmania major histone deacetylase, putative 0.0071 0.0641 0.0641
Toxoplasma gondii histone deacetylase HDAC1 0.0071 0.0641 0.0641
Brugia malayi Histone deacetylase family protein 0.0071 0.0641 0.0641
Plasmodium vivax histone deacetylase 2, putative 0.0071 0.0641 0.0641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0199 0.5946 0.5946
Loa Loa (eye worm) hypothetical protein 0.0199 0.5946 0.5946
Leishmania major cathepsin L-like protease 0.0298 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0154 0.4054 0.4054
Plasmodium vivax vivapain-2 0.0298 1 1
Echinococcus multilocularis histone deacetylase 6 0.0071 0.0641 0.0641
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0099 0.1791 0.1791
Trypanosoma cruzi histone deacetylase, putative 0.0071 0.0641 0.0641
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0071 0.0641 0.0641
Entamoeba histolytica cysteine proteinase, putative 0.0154 0.4054 0.4054
Giardia lamblia Cathepsin L precursor 0.0055 0 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Brugia malayi Cathepsin L-like precursor 0.0298 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Loa Loa (eye worm) cysteine protease 0.0298 1 1
Echinococcus granulosus histone deacetylase 6 0.0078 0.0947 0.0947
Entamoeba histolytica cysteine proteinase, putative 0.0154 0.4054 0.4054
Giardia lamblia Cysteine protease 0.0055 0 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0298 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0298 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0298 1 1
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Loa Loa (eye worm) fibroinase 0.0298 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Plasmodium vivax vivapain-1 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1791 0.1791
Plasmodium falciparum cysteine proteinase falcipain 1 0.0154 0.4054 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0099 0.1791 0.1791
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0199 0.5946 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Onchocerca volvulus Cathepsin F homolog 0.0298 1 1
Giardia lamblia Cysteine protease 0.0055 0 0.5
Echinococcus granulosus histone deacetylase 6 0.0071 0.0641 0.0641
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0298 1 1
Onchocerca volvulus 0.0298 1 1
Brugia malayi Cathepsin L-like precursor 0.0199 0.5946 0.5946
Onchocerca volvulus 0.0298 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.5946 0.5946
Onchocerca volvulus 0.0298 1 1
Giardia lamblia Cathepsin L precursor 0.0055 0 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0298 1 1
Entamoeba histolytica cysteine proteinase 2 0.0154 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0154 0.4054 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0298 1 1
Onchocerca volvulus 0.0199 0.5946 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0199 0.5946 0.5946
Echinococcus multilocularis cysteine protease 0.0298 1 1
Plasmodium vivax unspecified product 0.0099 0.1791 0.1791
Leishmania major cathepsin L-like protease 0.0298 1 1
Echinococcus multilocularis histone deacetylase 7 0.0071 0.0641 0.0641
Giardia lamblia Cathepsin L precursor 0.0055 0 0.5
Leishmania major cysteine peptidase A (CPA) 0.0298 1 1
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Brugia malayi Cathepsin L-like precursor 0.0199 0.5946 0.5946
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Leishmania major histone deacetylase, putative 0.0071 0.0641 0.0641
Onchocerca volvulus Cathepsin L homolog 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.5946 0.5946
Entamoeba histolytica cysteine proteinase 1, putative 0.0154 0.4054 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0154 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0154 0.4054 0.4054
Loa Loa (eye worm) histone deacetylase 7A 0.0071 0.0641 0.0641
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0298 1 1
Trypanosoma brucei histone deacetylase 3 0.0071 0.0641 0.0641
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0071 0.0641 0.0641
Trypanosoma cruzi cysteine protease, putative 0.0154 0.4054 0.4054
Giardia lamblia Cathepsin L-like protease 0.0055 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0298 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0298 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0199 0.5946 0.5946
Loa Loa (eye worm) ctsf protein 0.0298 1 1
Plasmodium falciparum histone deacetylase, putative 0.0071 0.0641 0.0641
Giardia lamblia Encystation-specific protease 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 1 1
Echinococcus multilocularis histone deacetylase 6 0.0071 0.0641 0.0641
Trypanosoma cruzi cysteine peptidase, putative 0.0298 1 1
Leishmania major cathepsin L-like protease 0.0298 1 1
Onchocerca volvulus 0.0298 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0298 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0298 1 1
Giardia lamblia Cathepsin L-like protease 0.0055 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0298 1 1
Brugia malayi Histone deacetylase family protein 0.0071 0.0641 0.0641
Leishmania major cathepsin L-like protease 0.0298 1 1
Onchocerca volvulus 0.0298 1 1
Giardia lamblia Cathepsin B precursor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.1791 0.1791
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0199 0.5946 0.5946
Brugia malayi Cathepsin L-like precursor 0.0298 1 1
Entamoeba histolytica cysteine protease, putative 0.0154 0.4054 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0298 1 1
Brugia malayi Cathepsin L-like precursor 0.0099 0.1791 0.1791
Giardia lamblia Hypothetical protein 0.0055 0 0.5
Toxoplasma gondii cathepsin CPL 0.0298 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.0154 0.4054 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0055 0 0.5
Echinococcus granulosus cathepsin l1 0.0298 1 1
Leishmania major cathepsin L-like protease 0.0298 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0298 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0298 1 1
Echinococcus granulosus histone deacetylase 7 0.0071 0.0641 0.0641
Plasmodium falciparum histone deacetylase 2 0.0071 0.0641 0.0641
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0298 1 1
Entamoeba histolytica cysteine protease, putative 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1791 0.1791
Leishmania major cathepsin L-like protease 0.0298 1 1
Giardia lamblia Cysteine protease 0.0055 0 0.5
Giardia lamblia Cysteine protease 0.0055 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0154 0.4054 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0298 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 4.95 uM Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assay ChEMBL. 25238284
IC50 (binding) = 1660 nM BindingDB_Patents: Fluorometric Assay. Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay. In a detailed procedure, 8 µl of HDAC8 enzyme solution (0.125 µg/µl) was transferred to assay plates (CORNING 3676). 1 µl of half-log diluted compounds were added into wells and incubated for 15 min at rt. After that, 8 µl of substrate solution was transferred to the wells and incubated for 30 min at rt. After deacetylation of the substrate by incubation with HDAC8 enzyme, subsequent exposure to a developing reagent produced a fluorophore that was directly proportional to the level of deacetylation. So 4 µl of developer regent (Cayman 10006394) was added into the wells in the assay plates and incubated for 15 min. The fluorescence signal was measured by a FlexStation3 plate reader (excitation wave length 340-360 nm; emission wave length 440-465 nm). ChEMBL. No reference
IC50 (binding) = 1660 nM BindingDB_Patents: Fluorometric Assay. Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay. In a detailed procedure, 8 µl of HDAC8 enzyme solution (0.125 µg/µl) was transferred to assay plates (CORNING 3676). 1 µl of half-log diluted compounds were added into wells and incubated for 15 min at rt. After that, 8 µl of substrate solution was transferred to the wells and incubated for 30 min at rt. After deacetylation of the substrate by incubation with HDAC8 enzyme, subsequent exposure to a developing reagent produced a fluorophore that was directly proportional to the level of deacetylation. So 4 µl of developer regent (Cayman 10006394) was added into the wells in the assay plates and incubated for 15 min. The fluorescence signal was measured by a FlexStation3 plate reader (excitation wave length 340-360 nm; emission wave length 440-465 nm). ChEMBL. No reference
Inhibition (binding) = -68 % Inhibition of HDAC1/2/3 in human HeLa cells assessed as p21 gene expression at 3 uM after 15 hrs by luciferase reporter gene assay relative to SNDX-275 ChEMBL. 25238284
Inhibition (binding) = -59 % Inhibition of HDAC1/2/3 in human HeLa cells assessed as p21 gene expression at 10 uM after 15 hrs by luciferase reporter gene assay relative to SNDX-275 ChEMBL. 25238284

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

1 literature reference was collected for this gene.

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