Detailed information for compound 504619

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.436 | Formula: C22H22N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1cc(c2c1cccc2)c1ccnc(n1)Nc1cccc(c1)OC
  • InChi: 1S/C22H22N4O2/c1-27-13-12-26-15-19(18-8-3-4-9-21(18)26)20-10-11-23-22(25-20)24-16-6-5-7-17(14-16)28-2/h3-11,14-15H,12-13H2,1-2H3,(H,23,24,25)
  • InChiKey: VSRLHJUUUGWYKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycogen synthase kinase 3 beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium berghei glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania donovani glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium knowlesi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi intracellular kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
Theileria parva glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, putative Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Onchocerca volvulus Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
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 Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0059 0.0462 0.005
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0059 0.0462 0.0275
Brugia malayi intracellular kinase 0.0058 0.0441 0.0595
Leishmania major sodium/sulphate symporter, putative 0.0089 0.1046 0.0867
Loa Loa (eye worm) hypothetical protein 0.0089 0.1046 0.141
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0462 0.0046
Toxoplasma gondii histone deacetylase HDAC1 0.0286 0.4959 1
Schistosoma mansoni peptidase 0.0059 0.0462 0.0337
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0462 0.003
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0058 0.0441 0.0301
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4576 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Brugia malayi hypothetical protein 0.0147 0.2199 0.2963
Onchocerca volvulus 0.0344 0.6106 1
Schistosoma mansoni histone deacetylase 4 5 0.0286 0.4959 0.8037
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0504 0.0679
Schistosoma mansoni hypothetical protein 0.0299 0.5212 0.847
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0059 0.0462 0.0275
Echinococcus granulosus histone deacetylase 6 0.0293 0.5096 0.8216
Echinococcus multilocularis Zinc carboxypeptidase family protein 0.0059 0.0462 0.0037
Echinococcus multilocularis geminin 0.0184 0.2939 0.4409
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0504 0.0679
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4576 1
Loa Loa (eye worm) hypothetical protein 0.0285 0.4936 0.6653
Loa Loa (eye worm) hypothetical protein 0.021 0.3446 0.4645
Plasmodium falciparum histone deacetylase, putative 0.0286 0.4959 1
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0059 0.0462 0.0046
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Echinococcus granulosus histone deacetylase 3 0.0267 0.4576 0.7299
Leishmania major histone deacetylase, putative 0.0286 0.4959 0.6475
Echinococcus granulosus geminin 0.0184 0.2939 0.4409
Echinococcus granulosus histone deacetylase 6 0.0286 0.4959 0.7976
Plasmodium vivax histone deacetylase, putative 0.0286 0.4959 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.041 0.7419 1
Schistosoma mansoni hypothetical protein 0.0184 0.2939 0.4577
Echinococcus granulosus histone deacetylase 0.0286 0.4959 0.7976
Brugia malayi Histone deacetylase family protein 0.0286 0.4959 0.6684
Trypanosoma brucei C-8 sterol isomerase, putative 0.041 0.7419 1
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4576 1
Echinococcus multilocularis histone deacetylase 8 0.0115 0.1564 0.1981
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Onchocerca volvulus 0.0344 0.6106 1
Toxoplasma gondii histone deacetylase HDAC5 0.0115 0.1564 0.2484
Echinococcus granulosus solute carrier family 13 0.0089 0.1046 0.1068
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0504 0.0409
Echinococcus granulosus snurportin 1 0.0299 0.5212 0.8422
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.0441 0.0595
Schistosoma mansoni protease m14 carboxypeptidase 0.0059 0.0462 0.0337
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0267 0.4576 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.041 0.7419 1
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Loa Loa (eye worm) hypothetical protein 0.041 0.7419 1
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0344 0.6106 1
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1046 0.1811
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0462 0.0623
Echinococcus granulosus Zinc carboxypeptidase family protein 0.0059 0.0462 0.0037
Echinococcus multilocularis solute carrier family 13 0.0089 0.1046 0.1068
Toxoplasma gondii histone deacetylase HDAC4 0.0115 0.1564 0.2484
Echinococcus granulosus histone deacetylase 7 0.0286 0.4959 0.7976
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Trichomonas vaginalis sodium-dependent high-affinity dicarboxylate transporter, putative 0.0089 0.1046 0.1811
Brugia malayi histone deacetylase 1 (HD1) 0.0267 0.4576 0.6168
Schistosoma mansoni survival motor neuron protein 0.0054 0.0357 0.0157
Echinococcus multilocularis histone deacetylase 3 0.0267 0.4576 0.7299
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0504 0.0679
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Trypanosoma cruzi histone deacetylase, putative 0.0286 0.4959 0.6561
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Brugia malayi histone deacetylase 3 (HD3) 0.0267 0.4576 0.6168
Schistosoma mansoni histone deacetylase 1 2 3 0.0115 0.1564 0.2223
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1046 0.1811
Chlamydia trachomatis dicarboxylate translocator 0.0039 0.0073 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.4512 0.7185
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0089 0.1046 0.1811
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Echinococcus multilocularis histone deacetylase 6 0.0286 0.4959 0.7976
Mycobacterium ulcerans short chain dehydrogenase 0.0541 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Trypanosoma brucei histone deacetylase 1 0.0267 0.4576 0.5926
Onchocerca volvulus 0.0058 0.0441 0.0147
Trypanosoma brucei histone deacetylase 4 0.0286 0.4959 0.6475
Echinococcus multilocularis histone deacetylase 7 0.0286 0.4959 0.7976
Echinococcus multilocularis histone deacetylase 6 0.0293 0.5096 0.8216
Echinococcus granulosus tar DNA binding protein 0.0061 0.0504 0.0111
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4576 1
Trypanosoma cruzi histone deacetylase, putative 0.0286 0.4959 0.6561
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0357 0.0481
Leishmania major histone deacetylase, putative 0.0267 0.4576 0.5926
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0441 0.0408
Onchocerca volvulus Cytosolic carboxypeptidase 1 homolog 0.0059 0.0462 0.0183
Schistosoma mansoni histone deacetylase hda2 0.0293 0.5096 0.827
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0059 0.0462 0.0046
Plasmodium falciparum histone deacetylase 2 0.0286 0.4959 1
Plasmodium vivax histone deacetylase 2, putative 0.0286 0.4959 1
Trypanosoma cruzi histone deacetylase, putative 0.0286 0.4959 0.6561
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4576 1
Giardia lamblia Histone deacetylase 0.0267 0.4576 1
Echinococcus granulosus solute carrier family 13 0.0089 0.1046 0.1068
Loa Loa (eye worm) hypothetical protein 0.0267 0.4576 0.6168
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0059 0.0462 0.005
Echinococcus granulosus histone deacetylase 1 0.0267 0.4576 0.7299
Schistosoma mansoni histone deacetylase 0.0267 0.4576 0.7381
Leishmania major C-8 sterol isomerase-like protein 0.041 0.7419 1
Echinococcus multilocularis solute carrier family 13 0.0089 0.1046 0.1068
Brugia malayi TAR-binding protein 0.0061 0.0504 0.0679
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0059 0.0462 0.003
Loa Loa (eye worm) RNA binding protein 0.0061 0.0504 0.0679
Echinococcus multilocularis cytosolic carboxypeptidase protein 5 0.0059 0.0462 0.0037
Trypanosoma cruzi histone deacetylase, putative 0.0115 0.1564 0.1815
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0504 0.0409
Brugia malayi hypothetical protein 0.0264 0.4512 0.6081
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0058 0.0441 0.0595
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0441 0.0408
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0462 0.0623
Echinococcus granulosus histone deacetylase 6 0.0286 0.4959 0.7976
Echinococcus granulosus cytosolic carboxypeptidase protein 5 0.0059 0.0462 0.0037
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Leishmania major histone deacetylase, putative 0.0286 0.4959 0.6475
Brugia malayi Histone deacetylase 1 0.0267 0.4576 0.6168
Schistosoma mansoni histone deacetylase 0.0267 0.4576 0.7381
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0344 0.6106 1
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0059 0.0462 0.005
Plasmodium vivax histone deacetylase, putative 0.0115 0.1564 0.2484
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Brugia malayi histone deacetylase 11 0.0115 0.1564 0.2108
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.5212 0.7025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Schistosoma mansoni hypothetical protein 0.0054 0.0357 0.0157
Loa Loa (eye worm) histone deacetylase 1 0.0267 0.4576 0.6168
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0059 0.0462 0.003
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Loa Loa (eye worm) hypothetical protein 0.0172 0.2688 0.3623
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Onchocerca volvulus Histone deacetylase 10 homolog 0.0115 0.1564 0.2099
Toxoplasma gondii histone deacetylase HDAC2 0.0267 0.4576 0.9152
Brugia malayi Histone deacetylase family protein 0.0286 0.4959 0.6684
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Entamoeba histolytica histone deacetylase, putative 0.0267 0.4576 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0504 0.0409
Brugia malayi RNA, U transporter 1 0.008 0.0869 0.1172
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0504 0.0111
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0267 0.4576 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0504 0.0409
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0462 0.0275
Loa Loa (eye worm) histone deacetylase 11 0.0115 0.1564 0.2108
Plasmodium falciparum histone deacetylase 1 0.0267 0.4576 0.9152
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0058 0.0441 0.0246
Loa Loa (eye worm) hypothetical protein 0.0178 0.2824 0.3807
Trypanosoma brucei histone deacetylase, putative 0.0286 0.4959 0.6475
Echinococcus multilocularis 0.0059 0.0462 0.0037
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0059 0.0462 0.0337
Echinococcus multilocularis snurportin 1 0.0299 0.5212 0.8422
Brugia malayi RNA binding protein 0.0061 0.0504 0.0679
Trypanosoma cruzi histone deacetylase 1, putative 0.0267 0.4576 0.6026
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1046 0.1811
Schistosoma mansoni histone deacetylase 4 5 0.0286 0.4959 0.8037
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Toxoplasma gondii zinc carboxypeptidase, putative 0.0059 0.0462 0.0046
Schistosoma mansoni histone deacetylase hda2 0.0115 0.1564 0.2223
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Trypanosoma cruzi histone deacetylase 1, putative 0.0267 0.4576 0.6026
Echinococcus multilocularis histone deacetylase 1 0.0267 0.4576 0.7299
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0059 0.0462 0.0337
Onchocerca volvulus 0.0344 0.6106 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.2199 0.2963
Schistosoma mansoni hypothetical protein 0.0184 0.2939 0.4577
Loa Loa (eye worm) histone deacetylase 3 0.0267 0.4576 0.6168
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Leishmania major histone deacetylase, putative 0.0267 0.4576 0.5926
Echinococcus granulosus cytosolic carboxypeptidase 1 0.0059 0.0462 0.0037
Echinococcus granulosus solute carrier family 13 0.0089 0.1046 0.1068
Loa Loa (eye worm) histone deacetylase 0.0286 0.4959 0.6684
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0089 0.1046 0.1811
Trypanosoma brucei histone deacetylase 2 0.0115 0.1564 0.1608
Echinococcus multilocularis histone deacetylase 6 0.0286 0.4959 0.7976
Echinococcus granulosus histone deacetylase 8 0.0115 0.1564 0.1981
Onchocerca volvulus 0.0344 0.6106 1
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4576 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0267 0.4576 1
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0462 0.0623
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0059 0.0462 0.0456
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0462 0.003
Trypanosoma cruzi Carboxypeptidase-like protein 0.0059 0.0462 0.0275
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0059 0.0462 0.0337
Schistosoma mansoni peptidase 0.0059 0.0462 0.0337
Onchocerca volvulus 0.0059 0.0462 0.0183
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1046 0.1811
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0059 0.0462 0.003
Loa Loa (eye worm) histone deacetylase 7A 0.0286 0.4959 0.6684
Loa Loa (eye worm) hypothetical protein 0.0115 0.1564 0.2108
Loa Loa (eye worm) zinc carboxypeptidase 0.0059 0.0462 0.0623
Brugia malayi NaDC-2 0.0089 0.1046 0.141
Loa Loa (eye worm) hypothetical protein 0.0059 0.0462 0.0623
Brugia malayi Carboxypeptidase A2 precursor 0.0059 0.0462 0.0623
Onchocerca volvulus Carboxypeptidase D homolog 0.0059 0.0462 0.0183
Echinococcus multilocularis histone deacetylase 0.0286 0.4959 0.7976
Toxoplasma gondii histone deacetylase HDAC3 0.0267 0.4576 0.9152
Plasmodium vivax histone deacetylase 1, putative 0.0267 0.4576 0.9152
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.4512 0.7185
Schistosoma mansoni hypothetical protein 0.0059 0.0462 0.0337
Schistosoma mansoni peptidase 0.0059 0.0462 0.0337
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0059 0.0462 0.0275
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1046 0.1811
Onchocerca volvulus 0.0059 0.0462 0.0183
Schistosoma mansoni sodium/dicarboxylate cotransporter-related 0.0089 0.1046 0.1337
Trypanosoma cruzi histone deacetylase, putative 0.0115 0.1564 0.1815
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0344 0.6106 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0504 0.0409
Trypanosoma brucei Carboxypeptidase-like protein 0.0059 0.0462 0.003
Echinococcus multilocularis solute carrier family 13 0.0089 0.1046 0.1068
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0344 0.6106 1
Brugia malayi Zinc carboxypeptidase family protein 0.0059 0.0462 0.0623
Trypanosoma brucei histone deacetylase 3 0.0286 0.4959 0.6475
Onchocerca volvulus 0.0147 0.2199 0.3203
Toxoplasma gondii flagellar/basal body protein 0.0059 0.0462 0.0046
Loa Loa (eye worm) hypothetical protein 0.0264 0.4512 0.6081
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1046 0.1811

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of AP1-mediated transcriptional activation in human Jurkat cells ChEMBL. 18054489
IC50 (binding) = 0.14 uM Inhibition of GSK3beta (unknown origin) ChEMBL. 18054489
IC50 (binding) = 0.14 uM Inhibition of GSK3beta (unknown origin) ChEMBL. 18054489
IC50 (binding) = 7.8 uM Inhibition of NFkappaB-mediated transcriptional activation in human A549 cells ChEMBL. 18054489

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.

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