Detailed information for compound 444135

Basic information

Technical information
  • TDR Targets ID: 444135
  • Name: N-(2-aminophenyl)-6-[(3S)-3-benzylpiperazin-1 -yl]pyridine-3-carboxamide
  • MW: 387.478 | Formula: C23H25N5O
  • H donors: 3 H acceptors: 2 LogP: 2.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(nc1)N1CCN[C@H](C1)Cc1ccccc1)Nc1ccccc1N
  • InChi: 1S/C23H25N5O/c24-20-8-4-5-9-21(20)27-23(29)18-10-11-22(26-15-18)28-13-12-25-19(16-28)14-17-6-2-1-3-7-17/h1-11,15,19,25H,12-14,16,24H2,(H,27,29)/t19-/m0/s1
  • InChiKey: PTVZDUFMTBZMOQ-IBGZPJMESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-aminophenyl)-6-[(3S)-3-benzyl-1-piperazinyl]-3-pyridinecarboxamide
  • N-(2-aminophenyl)-6-[(3S)-3-(phenylmethyl)piperazin-1-yl]pyridine-3-carboxamide
  • N-(2-aminophenyl)-6-[(3S)-3-benzylpiperazino]nicotinamide
  • N-(2-aminophenyl)-6-[(3S)-3-(phenylmethyl)-1-piperazinyl]-3-pyridinecarboxamide
  • N-(2-aminophenyl)-6-[(3S)-3-(benzyl)piperazin-1-yl]nicotinamide

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni 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
Leishmania major 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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 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
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 1 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 HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum 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
Loa Loa (eye worm) histone deacetylase 3 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
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Entamoeba histolytica histone deacetylase, putative 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase 1, 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
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani 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
Trypanosoma cruzi histone deacetylase 1, 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 braziliensis 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 1 (HD1) 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
Theileria parva histone deacetylase, putative 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
Brugia malayi histone deacetylase 3 (HD3) 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
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase 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
Neospora caninum 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
Trypanosoma cruzi histone deacetylase 1, 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
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
Schistosoma mansoni protein kinase 0.0039 0.0073 0.0073
Echinococcus granulosus histone deacetylase 3 0.0077 0.0555 0.0555
Toxoplasma gondii ABC1 family protein 0.0041 0.0101 0.0154
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0039 0.0073 0.0073
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0072 0.0487 0.0487
Loa Loa (eye worm) glutamate receptor 0.0164 0.1676 0.272
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.0555 0.0959
Trypanosoma brucei histone deacetylase 1 0.0077 0.0555 0.151
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0555 0.0694
Schistosoma mansoni hypothetical protein 0.0195 0.2071 0.2071
Brugia malayi hypothetical protein 0.0039 0.0073 0.0126
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0073 0.0073
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.009 0.0728 0.1107
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0406 0.4779 0.5
Trypanosoma cruzi glutamine synthetase, putative 0.0276 0.3108 1
Leishmania major hypothetical protein, conserved 0.0041 0.0101 0.0092
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0164
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0567 0.1629
Echinococcus multilocularis receptor type guanylyl cyclase 0.0039 0.0073 0.0073
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0039 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0195 0.2071 0.2071
Echinococcus granulosus metabotropic glutamate receptor 2 0.035 0.4056 0.4056
Loa Loa (eye worm) hypothetical protein 0.0374 0.4365 0.7083
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0555 0.0694
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.307 0.4982
Giardia lamblia Histone deacetylase 0.0077 0.0555 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0091 0.0091
Mycobacterium tuberculosis Glutamine synthetase GlnA1 (glutamine synthase) (GS-I) 0.027 0.3036 0.4534
Mycobacterium ulcerans endonuclease IV 0.009 0.0728 0.0969
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0106 0.0928 0.0928
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0485 0.5788 0.9392
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0072 0.0487 0.0597
Echinococcus granulosus atrial natriuretic peptide receptor 0.0039 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0057 0.0299 0.0299
Echinococcus granulosus glutamate receptor 2 0.0039 0.0073 0.0073
Brugia malayi hypothetical protein 0.0143 0.1409 0.2435
Echinococcus multilocularis microtubule associated protein 2 0.0813 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.0068 0.0439 0.0712
Toxoplasma gondii endonuclease IV APN 0.009 0.0728 0.1107
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.0406 0.4779 0.7227
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0091 0.0091
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.009 0.0728 0.0969
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0091 0.0147
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.0555 0.0901
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0164
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0555 0.0694
Brugia malayi metabotropic glutamate receptor type 2 0.0204 0.218 0.3766
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0546 0.6575 1
Brugia malayi follicle stimulating hormone receptor 0.0273 0.307 0.5305
Onchocerca volvulus 0.0552 0.6647 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0078 0.0567 0.1629
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0039 0.0073 0.0073
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.0555 0.0845
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0068 0.0439 0.0439
Mycobacterium ulcerans hypothetical protein 0.0136 0.1313 0.1871
Schistosoma mansoni histone deacetylase 0.0077 0.0555 0.0555
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0555 0.0694
Loa Loa (eye worm) RGC/RGC protein kinase 0.0039 0.0073 0.0119
Echinococcus granulosus GPCR family 3 C terminal 0.0068 0.0439 0.0439
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0487 0.0597
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0487 0.0487
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0555 0.0694
Brugia malayi M-phase phosphoprotein, mpp8 0.0119 0.11 0.1901
Echinococcus granulosus histone deacetylase 1 0.0077 0.0555 0.0555
Echinococcus granulosus tyrosine kinase 0.0039 0.0073 0.0073
Echinococcus granulosus glutamate receptor 2 0.0039 0.0073 0.0073
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0378 0.4421 0.7639
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0164
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0475 0.5659 0.5659
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0091 0.0091
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0555 0.1589
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.0979 0.0979
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0068 0.0439 0.0758
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Mycobacterium ulcerans hypothetical protein 0.027 0.3036 0.4534
Plasmodium falciparum histone deacetylase 1 0.0077 0.0555 0.0845
Onchocerca volvulus 0.0083 0.0634 0.0954
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.0555 0.0901
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0107 0.0942 0.1529
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.0555 0.0845
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.009 0.0728 0.1258
Schistosoma mansoni survival motor neuron protein 0.0057 0.0299 0.0299
Onchocerca volvulus Poor gastrulation protein homolog 0.0068 0.0439 0.066
Leishmania major histone deacetylase, putative 0.0077 0.0555 0.1589
Onchocerca volvulus 0.0041 0.0101 0.0152
Plasmodium falciparum glutamine synthetase, putative 0.0546 0.6575 1
Leishmania major histone deacetylase, putative 0.0077 0.0555 0.1589
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0487 0.0597
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0101 0.0175
Entamoeba histolytica histone deacetylase, putative 0.0077 0.0555 0.389
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0039 0.0073 0.0073
Mycobacterium tuberculosis Conserved hypothetical protein 0.027 0.3036 0.4534
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0458 0.0744
Trichomonas vaginalis glutamine synthetase, putative 0.0136 0.1313 0.1851
Onchocerca volvulus 0.0119 0.11 0.1655
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0546 0.6575 1
Echinococcus granulosus receptor type guanylyl cyclase 0.0039 0.0073 0.0073
Brugia malayi beta-lactamase 0.0041 0.0101 0.0175
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0101 0.0092
Loa Loa (eye worm) hypothetical protein 0.0077 0.0555 0.0901
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Brugia malayi jmjC domain containing protein 0.0041 0.0091 0.0156
Entamoeba histolytica glutamine synthetase, putative 0.0136 0.1313 1
Plasmodium vivax glutamine synthetase, putative 0.0546 0.6575 1
Schistosoma mansoni glutamine synthetase bacteria 0.0406 0.4779 0.4779
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0039 0.0073 0.0073
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0078 0.0567 0.0921
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0068 0.0439 0.066
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0555 0.0694
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0514 0.6162 0.6162
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0555 0.0694
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0091 0.0091
Onchocerca volvulus 0.0039 0.0073 0.011
Echinococcus multilocularis glutamine synthetase 0.0276 0.3108 0.3108
Schistosoma mansoni tyrosine kinase 0.0039 0.0073 0.0073
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0567 0.1629
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0107 0.0942 0.1529
Brugia malayi Pre-SET motif family protein 0.0485 0.5788 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0039 0.0073 0.0119
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0136 0.1313 0.1851
Loa Loa (eye worm) hypothetical protein 0.0119 0.11 0.1786
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0101 0.0092
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0106 0.0928 0.0928
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0039 0.0073 0.011
Echinococcus granulosus glutamine synthetase 0.0276 0.3108 0.3108
Echinococcus multilocularis Ankyrin repeat domain containing protein 0.0106 0.0928 0.0928
Trypanosoma brucei glutamine synthetase, putative 0.0276 0.3108 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0078 0.0567 0.098
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0555 0.0694
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.2966 0.4425
Brugia malayi Receptor family ligand binding region containing protein 0.0107 0.0942 0.1628
Schistosoma mansoni jumonji domain containing protein 0.0087 0.069 0.069
Loa Loa (eye worm) hypothetical protein 0.0279 0.3144 0.5102
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.0555 0.0845
Echinococcus granulosus metabotropic glutamate receptor 5 0.0514 0.6162 0.6162
Plasmodium vivax SET domain protein, putative 0.007 0.0461 0.0702
Echinococcus multilocularis transcription factor Dp 1 0.0045 0.0147 0.0147
Echinococcus multilocularis GPCR, family 3, C terminal 0.0068 0.0439 0.0439
Mycobacterium tuberculosis Probable glutamine synthetase GlnA4 (glutamine synthase) (GS-II) 0.027 0.3036 0.4534
Loa Loa (eye worm) beta-lactamase 0.0041 0.0101 0.0164
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0164
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Brugia malayi jmjC domain containing protein 0.011 0.0979 0.1692
Onchocerca volvulus 0.0041 0.0101 0.0152
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0555 0.1589
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0039 0.0073 0.0119
Toxoplasma gondii glutamine synthetase, type I, putative 0.0546 0.6575 1
Onchocerca volvulus 0.0119 0.11 0.1655
Brugia malayi Pre-SET motif family protein 0.007 0.0461 0.0797
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0567 0.1551
Echinococcus multilocularis histone deacetylase 3 0.0077 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0107 0.0942 0.1529
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0169 0.0169
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0555 0.0694
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0072 0.0487 0.1365
Brugia malayi beta-lactamase family protein 0.0041 0.0101 0.0175
Loa Loa (eye worm) Gln-2 protein 0.0276 0.3108 0.5043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0067 0.0429 0.0429
Mycobacterium ulcerans glutamine synthetase 0.0546 0.6575 1
Echinococcus granulosus transcription factor Dp 1 0.0045 0.0147 0.0147
Echinococcus granulosus geminin 0.0195 0.2071 0.2071
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0039 0.0073 0.0073
Echinococcus granulosus Ankyrin repeat domain containing protein 0.0106 0.0928 0.0928
Schistosoma mansoni glutamine synthetase bacteria 0.0406 0.4779 0.4779
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.0299 0.0516
Brugia malayi hypothetical protein 0.0279 0.3144 0.5432
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.0979 0.0979
Loa Loa (eye worm) RGC/RGC protein kinase 0.0039 0.0073 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.007 0.0461 0.0461
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0078 0.0567 0.0567
Onchocerca volvulus 0.0057 0.0299 0.0449
Schistosoma mansoni tyrosine kinase 0.0039 0.0073 0.0073
Brugia malayi Guanylyl cyclase protein 23 0.0039 0.0073 0.0126
Brugia malayi hypothetical protein 0.0119 0.11 0.1901
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0083 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0164
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0101 0.0154
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Onchocerca volvulus Glutamine synthetase homolog 0.0276 0.3108 0.4676
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.0555 0.0959
Schistosoma mansoni metabotropic glutamate receptor 0.0204 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0514 0.6162 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0101 0.0101
Toxoplasma gondii aldehyde dehydrogenase 0.0072 0.0487 0.0741
Brugia malayi Histone deacetylase 1 0.0077 0.0555 0.0959
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.009 0.0728 0.0969
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.007 0.0461 0.0702
Loa Loa (eye worm) hypothetical protein 0.009 0.0728 0.1182
Loa Loa (eye worm) hypothetical protein 0.0119 0.11 0.1786
Chlamydia trachomatis endonuclease IV 0.009 0.0728 0.5
Brugia malayi beta-lactamase family protein 0.0041 0.0101 0.0175
Schistosoma mansoni metabotropic glutamate receptor 0.035 0.4056 0.4056
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0101 0.0101
Brugia malayi Metabotropic glutamate receptor precursor. 0.0418 0.4925 0.8509
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0164
Entamoeba histolytica glutamine synthetase, putative 0.0136 0.1313 1
Brugia malayi Receptor family ligand binding region containing protein 0.0039 0.0073 0.0126
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.007 0.0461 0.0461
Echinococcus granulosus histone lysine methyltransferase setb 0.007 0.0461 0.0461
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0101 0.0101
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0039 0.0073 0.0126
Echinococcus multilocularis survival motor neuron protein 1 0.0279 0.3144 0.3144
Echinococcus multilocularis nmda type glutamate receptor 0.0039 0.0073 0.0073
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0039 0.0073 0.0073
Echinococcus multilocularis geminin 0.0195 0.2071 0.2071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.007 0.0461 0.0461
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0169 0.0169
Trichomonas vaginalis set domain proteins, putative 0.0552 0.6647 1
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0546 0.6575 1
Loa Loa (eye worm) glutamate receptor 0.0418 0.4925 0.7992
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0039 0.0073 0.0073
Echinococcus multilocularis histone deacetylase 1 0.0077 0.0555 0.0555
Mycobacterium leprae GLUTAMINE SYNTHETASE GLNA1 (GLUTAMINE SYNTHASE) (Glutamate--ammonia ligase 1) (GS-I) 0.027 0.3036 0.4534
Loa Loa (eye worm) hypothetical protein 0.0058 0.0307 0.0499
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0101 0.0101
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0078 0.0567 0.3987
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0101 0.0164
Leishmania major glutamine synthetase, putative 0.0276 0.3108 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0461 0.0749
Schistosoma mansoni histone deacetylase 0.0077 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.007 0.0461 0.0461
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0039 0.0073 0.0073
Schistosoma mansoni microtubule-associated protein tau 0.0813 1 1
Onchocerca volvulus 0.0041 0.0101 0.0152
Trypanosoma cruzi glutamine synthetase, putative 0.0276 0.3108 1
Echinococcus multilocularis tyrosine kinase 0.0039 0.0073 0.0073
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0487 0.0597
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.009 0.0728 0.1107
Echinococcus granulosus survival motor neuron protein 1 0.0279 0.3144 0.3144
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0078 0.0567 0.0567
Echinococcus multilocularis metabotropic glutamate receptor 2 0.035 0.4056 0.4056
Echinococcus granulosus nmda type glutamate receptor 0.0039 0.0073 0.0073
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0072 0.0487 0.0487
Onchocerca volvulus 0.0039 0.0073 0.011
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0119
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.007 0.0461 0.0461
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0078 0.0567 0.0567
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0276 0.3108 0.3108
Schistosoma mansoni glutamate receptor NMDA 0.0039 0.0073 0.0073

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 301 nM Inhibition of recombinant HDAC1 ChEMBL. 17761416
IC50 (binding) = 301 nM Inhibition of recombinant HDAC1 ChEMBL. 17761416

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.