Detailed information for compound 935057

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.448 | Formula: C14H18N4O3S2
  • H donors: 3 H acceptors: 5 LogP: 1.74 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCC(=O)Nc1nnc(s1)c1cccs1
  • InChi: 1S/C14H18N4O3S2/c19-11(7-3-1-2-4-8-12(20)18-21)15-14-17-16-13(23-14)10-6-5-9-22-10/h5-6,9,21H,1-4,7-8H2,(H,18,20)(H,15,17,19)
  • InChiKey: OWYWIZMKXMWDDO-UHFFFAOYSA-N  


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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 histone deacetylase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 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 1, 2 ,3, putative 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
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
Plasmodium knowlesi histone deacetylase 1, 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
Trichomonas vaginalis histone deacetylase, putative 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
Babesia bovis histone deacetylase 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
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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
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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Cryptosporidium hominis histone deacetylase 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 donovani 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
Loa Loa (eye worm) histone deacetylase 1 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
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, 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis histone deacetylase 1 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
Neospora caninum hypothetical protein 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 major 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
Leishmania major histone deacetylase, putative 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
Giardia lamblia Histone deacetylase 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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
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
Plasmodium yoelii histone deacetylase 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
Neospora caninum 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
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
Brugia malayi histone deacetylase 1 (HD1) 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
Brugia malayi Histone deacetylase 1 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, 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
Echinococcus granulosus 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
Cryptosporidium hominis histone deacetylase 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
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 set domain proteins, putative 0.0249 0.0392 1
Trypanosoma brucei histone deacetylase 1 0.0077 0.0088 0.377
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.004 0.1696
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0001 0.0031
Giardia lamblia Cysteinyl-tRNA synthetase 0.0083 0.0099 1
Echinococcus granulosus histone deacetylase 1 0.0077 0.0088 0.3793
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0001 0.0031
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0779 0.133 0.1312
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.004 0.1724
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.0153 0.0133
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.018 0.027 0.026
Schistosoma mansoni dihydrofolate reductase 0.0046 0.0034 0.1447
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0439
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0047 0.1189
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0065 0.2792
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0008 0.0335
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0175 0.0155
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0047 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0008 0.0335
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0001 0.0021
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.0233 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0175 0.0155
Leishmania major cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4226
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0083 0.0099 0.2921
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.0088 0.2608
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.0233 1
Echinococcus granulosus thymidylate synthase 0.0113 0.0152 0.6519
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0033 0.001 0.0438
Trypanosoma brucei trypanothione reductase 0.005 0.004 0.1696
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0008 0.0335
Loa Loa (eye worm) glutathione reductase 0.005 0.004 0.1185
Loa Loa (eye worm) hypothetical protein 0.0159 0.0233 0.6876
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Loa Loa (eye worm) hypothetical protein 0.0031 0.0008 0.023
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4226
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.0185 0.0166
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0065 0.2795
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0099 0.4248
Plasmodium falciparum thioredoxin reductase 0.005 0.004 0.1722
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0159 0.0233 1
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4226
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0008 0.0335
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.0153 0.0133
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0065 0.0055
Onchocerca volvulus 0.0033 0.001 0.0261
Chlamydia trachomatis cysteine--tRNA ligase 0.0083 0.0099 0.2079
Loa Loa (eye worm) hypothetical protein 0.0033 0.001 0.0302
Onchocerca volvulus 0.0159 0.0233 0.594
Plasmodium falciparum histone deacetylase 1 0.0077 0.0088 0.3789
Loa Loa (eye worm) dihydrofolate reductase 0.0046 0.0034 0.0995
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.004 0.002
Schistosoma mansoni histone deacetylase 0.0077 0.0088 0.3793
Schistosoma mansoni sodium/chloride dependent transporter 0.0159 0.0233 1
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0083 0.0099 0.2921
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.0088 0.2608
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.0088 0.2608
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0088 0.2239
Entamoeba histolytica histone deacetylase, putative 0.0077 0.0088 0.8921
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0008 0.0334
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.0233 1
Brugia malayi thymidylate synthase 0.0113 0.0152 0.4483
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0083 0.0099 0.4243
Echinococcus granulosus serotonin transporter 0.0159 0.0233 1
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.018 0.027 0.4546
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0099 0.4243
Plasmodium vivax glutathione reductase, putative 0.005 0.004 0.1722
Plasmodium falciparum glutathione reductase 0.005 0.004 0.1722
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0159 0.0233 0.6876
Mycobacterium ulcerans thymidylate synthase 0.0113 0.0152 0.0142
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0113 0.0152 0.0132
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.004 0.1724
Loa Loa (eye worm) solute carrier family 6 member 4 0.0159 0.0233 0.6876
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0302
Leishmania major histone deacetylase, putative 0.0077 0.0088 0.377
Echinococcus granulosus flap endonuclease 1 0.0027 0.0001 0.0031
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0083 0.0099 0.0089
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0088 0.2239
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.0088 0.3789
Plasmodium vivax thioredoxin reductase, putative 0.005 0.004 0.1722
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.0153 0.0133
Brugia malayi hypothetical protein 0.0054 0.0047 0.1396
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0088 0.2239
Brugia malayi Dihydrofolate reductase 0.0046 0.0034 0.0995
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0088 0.2239
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0088 0.2239
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0088 0.377
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0065 0.0055
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.0339 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0065 0.2795
Loa Loa (eye worm) hypothetical protein 0.0077 0.0088 0.2608
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0001 0.0031
Brugia malayi Thioredoxin reductase 0.005 0.004 0.1185
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0046 0.0034 0.0014
Brugia malayi Pre-SET motif family protein 0.0031 0.0008 0.023
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0439
Giardia lamblia Histone deacetylase 0.0077 0.0088 0.8921
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0008 0.0335
Echinococcus multilocularis serotonin transporter 0.0159 0.0233 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.0233 1
Onchocerca volvulus 0.0083 0.0099 0.2524
Mycobacterium tuberculosis Probable reductase 0.0113 0.0153 0.0133
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.018 0.027 0.1392
Onchocerca volvulus 0.0031 0.0008 0.0199
Echinococcus multilocularis dihydrofolate reductase 0.0046 0.0034 0.1447
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0779 0.133 1
Echinococcus granulosus dihydrofolate reductase 0.0046 0.0034 0.1447
Loa Loa (eye worm) serotonin transporter b 0.0159 0.0233 0.6876
Loa Loa (eye worm) thymidylate synthase 0.0113 0.0152 0.4483
Echinococcus multilocularis histone deacetylase 1 0.0077 0.0088 0.3793
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0175 0.0155
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.0185 0.0166
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0033 0.001 0.0439
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0296 0.0476 1
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0779 0.133 0.1312
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.251
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0779 0.133 0.1321
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0088 0.377
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.0153 0.0133
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0046 0.0034 0.0024
Schistosoma mansoni histone deacetylase 0.0077 0.0088 0.3793
Brugia malayi dihydrofolate reductase family protein 0.0046 0.0034 0.0995
Plasmodium vivax cysteine--tRNA ligase, putative 0.0083 0.0099 0.4243
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.018 0.027 0.5679
Brugia malayi glutathione reductase 0.005 0.004 0.1185
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0065 0.0045
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0438
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0088 0.2239
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0033 0.001 0.0967
Chlamydia trachomatis dihydrofolate reductase 0.0046 0.0034 0.0708
Plasmodium vivax SET domain protein, putative 0.0031 0.0008 0.0334
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.0088 0.3789
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0046 0.0034 0.0014
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0967
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0088 0.2239
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0083 0.0099 0.4248
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5683 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.0088 0.3789
Brugia malayi Histone deacetylase 1 0.0077 0.0088 0.2608
Echinococcus granulosus leucyl tRNA synthetase 0.0083 0.0099 0.4248
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0113 0.0152 0.0132
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0175 0.0155
Loa Loa (eye worm) hypothetical protein 0.0083 0.0099 0.2921
Loa Loa (eye worm) thioredoxin reductase 0.005 0.004 0.1185
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0008 0.0335
Loa Loa (eye worm) hypothetical protein 0.0159 0.0233 0.6876
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0065 0.2769
Onchocerca volvulus 0.0113 0.0152 0.3873
Loa Loa (eye worm) hypothetical protein 0.0159 0.0233 0.6876
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4226
Echinococcus granulosus histone deacetylase 3 0.0077 0.0088 0.3793
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0296 0.0476 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0113 0.0152 0.6519
Leishmania major trypanothione reductase 0.005 0.004 0.1696
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.0088 0.2608
Leishmania major histone deacetylase, putative 0.0077 0.0088 0.377
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0065 0.2795
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.0153 0.0133
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0099 0.4243
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0083 0.0099 1
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5683 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0159 0.0233 0.3553
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0033 0.001 0.0243
Echinococcus multilocularis thymidylate synthase 0.0113 0.0152 0.6519
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0006 0.0247
Echinococcus granulosus cysteinyl tRNA synthetase 0.0083 0.0099 0.4248
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.0233 1
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0088 0.2239
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0008 0.0335
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Onchocerca volvulus 0.0249 0.0392 1
Loa Loa (eye worm) norepinephrine transporter 0.0159 0.0233 0.6876
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0033 0.001 0.0438
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0065 0.2795
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0033 0.001 0.0439
Plasmodium falciparum flap endonuclease 1 0.0027 0.0001 0.0031
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0088 0.2239
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.0233 1
Echinococcus multilocularis histone deacetylase 3 0.0077 0.0088 0.3793
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0054 0.0047 0.2002
Mycobacterium ulcerans glycosyltransferase 0.0038 0.002 0.001
Toxoplasma gondii thioredoxin reductase 0.005 0.004 0.1722
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0099 0.4248
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.0153 0.0133
Brugia malayi Flap endonuclease-1 0.0027 0.0001 0.0021
Brugia malayi Pre-SET motif family protein 0.0218 0.0339 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0065 0.0055

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 310 nM Inhibition of HDAC1/HDAC2 in human HeLa cell extract incubated for 5 mins prior to substrate addition measured after 30 mins by microtitre plate reader analysis ChEMBL. 25311567
IC50 (functional) = 1.21 uM Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT assay ChEMBL. 25311567

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25311567

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.