Detailed information for compound 1991133

Basic information

Technical information
  • TDR Targets ID: 1991133
  • Name: (E)-N-hydroxy-3-[1-(2-hydroxyethyl)-2-(4-meth oxyphenyl)benzimidazol-5-yl]prop-2-enamide
  • MW: 353.372 | Formula: C19H19N3O4
  • H donors: 3 H acceptors: 4 LogP: 1.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1c(nc2c1ccc(c2)/C=C/C(=O)NO)c1ccc(cc1)OC
  • InChi: 1S/C19H19N3O4/c1-26-15-6-4-14(5-7-15)19-20-16-12-13(3-9-18(24)21-25)2-8-17(16)22(19)10-11-23/h2-9,12,23,25H,10-11H2,1H3,(H,21,24)/b9-3+
  • InChiKey: OGPNRIPZGRWELK-YCRREMRBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-[1-(2-hydroxyethyl)-2-(4-methoxyphenyl)benzimidazol-5-yl]prop-2-enehydroxamic acid
  • (E)-3-[1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-5-benzimidazolyl]prop-2-enehydroxamic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 8 Starlite/ChEMBL No references
Homo sapiens histone deacetylase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major histone deacetylase, 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
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 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
Plasmodium vivax histone deacetylase 1, 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
Trypanosoma cruzi histone deacetylase 1, putative 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
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
Leishmania braziliensis 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
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
Neospora caninum 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
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
Cryptosporidium hominis 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
Toxoplasma gondii histone deacetylase HDAC3 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
Leishmania major histone deacetylase, 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 infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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 braziliensis histone deacetylase, 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
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
Trichomonas vaginalis 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
Trichomonas vaginalis histone deacetylase, 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
Plasmodium knowlesi histone deacetylase 1, 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
Loa Loa (eye worm) histone deacetylase 1 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
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
Leishmania mexicana 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
Giardia lamblia Histone deacetylase 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
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Babesia bovis 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 yoelii histone deacetylase 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
Trypanosoma brucei 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
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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0105 0.1293 0.6357
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0082 0.0904 0.4398
Mycobacterium ulcerans thioesterase 0.0082 0.0904 0.443
Entamoeba histolytica histone deacetylase, putative 0.0099 0.1185 1
Brugia malayi glutathione reductase 0.0049 0.0337 0.1031
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1185 1
Entamoeba histolytica hypothetical protein 0.0047 0.0287 0.1936
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0034 0.0072 0.0356
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.164 0.809
Mycobacterium ulcerans polyketide synthase Pks9 0.0065 0.0612 0.2981
Leishmania major importin beta-1 subunit, putative 0.0047 0.0287 0.242
Loa Loa (eye worm) acyl carrier protein 0.0046 0.0269 0.012
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0105 0.1293 0.6357
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0064 0.059 0.3321
Loa Loa (eye worm) MH2 domain-containing protein 0.022 0.3266 0.3163
Echinococcus granulosus histone deacetylase 7 0.0044 0.0241 0.0171
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1185 1
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0241 0.0171
Plasmodium vivax histone deacetylase 1, putative 0.0099 0.1185 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.0337 0.1014
Echinococcus granulosus histone deacetylase 8 0.0044 0.0241 0.0171
Loa Loa (eye worm) glutathione reductase 0.0049 0.0337 0.0188
Schistosoma mansoni histone deacetylase 1 2 3 0.0044 0.0241 0.0241
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0105 0.1293 0.6337
Loa Loa (eye worm) hypothetical protein 0.0057 0.0473 0.0326
Schistosoma mansoni hypothetical protein 0.0039 0.0152 0.0152
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.1424 0.7024
Trypanosoma cruzi histone deacetylase 1, putative 0.0099 0.1185 1
Echinococcus granulosus histone deacetylase 1 0.0099 0.1185 0.1122
Toxoplasma gondii thioredoxin reductase 0.0049 0.0337 0.091
Brugia malayi Histone deacetylase family protein 0.0044 0.0241 0.0738
Echinococcus multilocularis histone deacetylase 3 0.0099 0.1185 0.1122
Loa Loa (eye worm) hypothetical protein 0.0166 0.2342 0.2225
Echinococcus multilocularis histone deacetylase 1 0.0099 0.1185 0.1122
Brugia malayi Histone deacetylase 1 0.0099 0.1185 0.3627
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0065 0.0612 0.2941
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1185 1
Echinococcus granulosus importin subunit beta 1 0.0057 0.0473 0.0405
Brugia malayi Thioredoxin reductase 0.0049 0.0337 0.1031
Loa Loa (eye worm) hypothetical protein 0.0055 0.044 0.0293
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0099 0.1187 0.5834
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0099 0.1187 0.3635
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1185 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.008 0.0855 0.4188
Giardia lamblia Histone deacetylase 0.0099 0.1185 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.004 0.0175 0.0864
Loa Loa (eye worm) histone deacetylase 0.0044 0.0241 0.0091
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0459 0.1404
Brugia malayi Importin beta-1 subunit 0.0057 0.0473 0.1448
Trypanosoma brucei trypanothione reductase 0.0049 0.0337 0.1014
Plasmodium falciparum histone deacetylase 1 0.0099 0.1185 1
Onchocerca volvulus 0.0092 0.1076 0.3613
Brugia malayi AMP-binding enzyme family protein 0.0092 0.1076 0.3293
Schistosoma mansoni histone deacetylase hda2 0.0044 0.0241 0.0241
Plasmodium vivax importin-beta 2, putative 0.0057 0.0473 0.2456
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0473 0.0405
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0459 0.0312
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0081 0.0878 0.4329
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0105 0.1293 0.6376
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0337 0.1662
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.1424 0.7024
Brugia malayi histone deacetylase 1 (HD1) 0.0099 0.1185 0.3627
Onchocerca volvulus Fatty acid synthase homolog 0.0178 0.2551 1
Schistosoma mansoni hypothetical protein 0.0612 1 1
Mycobacterium ulcerans polyketide synthase 0.0105 0.1293 0.6357
Loa Loa (eye worm) hypothetical protein 0.0099 0.1185 0.1049
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.1424 0.6992
Echinococcus multilocularis geminin 0.0494 0.7974 0.796
Mycobacterium ulcerans thioesterase TesA 0.0082 0.0904 0.443
Loa Loa (eye worm) histone deacetylase 1 0.0099 0.1185 0.1049
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0287 0.242
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0105 0.1293 0.6376
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0096 0.1135 0.5599
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0337 0.0268
Echinococcus multilocularis histone deacetylase 7 0.0044 0.0241 0.0171
Brugia malayi hypothetical protein 0.0034 0.0071 0.0217
Schistosoma mansoni histone deacetylase hda2 0.0044 0.0241 0.0241
Mycobacterium ulcerans Type I modular polyketide synthase 0.0099 0.1187 0.5834
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0241 0.0171
Brugia malayi MH2 domain containing protein 0.022 0.3266 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0099 0.1187 0.5834
Brugia malayi RNA, U transporter 1 0.0163 0.2288 0.7006
Echinococcus granulosus histone deacetylase 6 0.0044 0.0241 0.0171
Brugia malayi histone deacetylase 11 0.0044 0.0241 0.0738
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0287 0.242
Mycobacterium tuberculosis Probable thioesterase TesA 0.0082 0.0904 0.4459
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.1424 0.7024
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.164 0.809
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0096 0.1135 0.5599
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0337 0.1014
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0473 0.2456
Loa Loa (eye worm) histone deacetylase 3 0.0099 0.1185 0.1049
Loa Loa (eye worm) fatty acid synthase 0.0098 0.1165 0.1029
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0148 0.2028 1
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1185 1
Toxoplasma gondii histone deacetylase HDAC3 0.0099 0.1185 0.8971
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0092 0.1076 0.0938
Schistosoma mansoni histone deacetylase 0.0099 0.1185 0.1185
Toxoplasma gondii type I fatty acid synthase, putative 0.007 0.0698 0.434
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0473 0.2203
Schistosoma mansoni histone deacetylase 4 5 0.0044 0.0241 0.0241
Schistosoma mansoni importin beta-1 0.0057 0.0473 0.0473
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.1424 0.7024
Echinococcus granulosus histone deacetylase 6 0.0044 0.0241 0.0171
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0612 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.164 0.809
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.005 0.0347 0.1005
Mycobacterium leprae Polyketide synthase Pks13 0.0148 0.2028 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0188 0.2709 0.8293
Trypanosoma cruzi histone deacetylase 1, putative 0.0099 0.1185 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.0337 0.1014
Brugia malayi histone deacetylase 3 (HD3) 0.0099 0.1185 0.3627
Leishmania major trypanothione reductase 0.0049 0.0337 0.2844
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.008 0.0855 0.4188
Mycobacterium ulcerans Type I modular polyketide synthase 0.0099 0.1187 0.5834
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0337 0.1014
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1185 1
Schistosoma mansoni histone deacetylase 4 5 0.0044 0.0241 0.0241
Mycobacterium leprae Probable polyketide synthase Pks1 0.0105 0.1293 0.6337
Onchocerca volvulus 0.0172 0.2445 0.9543
Mycobacterium ulcerans fatty acid synthase Fas 0.0031 0.0022 0.0056
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0473 0.2456
Brugia malayi AMP-binding enzyme family protein 0.003 0.0011 0.0032
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1185 1
Plasmodium falciparum glutathione reductase 0.0049 0.0337 0.1014
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0241 0.0171
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0099 0.1187 0.5856
Leishmania major histone deacetylase, putative 0.0099 0.1185 1
Leishmania major histone deacetylase, putative 0.0044 0.0241 0.2036
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0031 0.0022 0.0108
Echinococcus multilocularis snurportin 1 0.0612 1 1
Echinococcus multilocularis histone deacetylase 8 0.0044 0.0241 0.0171
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0056 0.0454 0.224
Toxoplasma gondii histone deacetylase HDAC2 0.0099 0.1185 0.8971
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0071 0.0709 0.3495
Schistosoma mansoni hypothetical protein 0.0494 0.7974 0.7974
Toxoplasma gondii type I fatty acid synthase, putative 0.0105 0.1293 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0241 0.0091
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.164 0.8069
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0287 0.242
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.1424 0.7024
Trypanosoma brucei histone deacetylase 1 0.0099 0.1185 1
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0494 0.7974 0.7974
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0105 0.1293 0.6337
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0148 0.2028 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0099 0.1187 0.581
Schistosoma mansoni histone deacetylase 0.0099 0.1185 0.1185
Echinococcus granulosus histone deacetylase 6 0.0044 0.0241 0.0171
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0065 0.0612 0.2981
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0092 0.1076 0.5305
Loa Loa (eye worm) hypothetical protein 0.0057 0.0459 0.0312
Loa Loa (eye worm) histone deacetylase 7A 0.0044 0.0241 0.0091
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0337 0.0268
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0099 0.1187 0.581
Echinococcus multilocularis histone deacetylase 0.0044 0.0241 0.0171
Echinococcus granulosus histone deacetylase 0.0044 0.0241 0.0171
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1185 1
Echinococcus granulosus geminin 0.0494 0.7974 0.796
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0105 0.1293 0.6376
Brugia malayi Histone deacetylase family protein 0.0044 0.0241 0.0738
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0287 0.0482
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.008 0.0855 0.4155
Leishmania major histone deacetylase, putative 0.0099 0.1185 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0099 0.1187 0.5856
Mycobacterium ulcerans polyketide synthase 0.0099 0.1187 0.5834
Echinococcus granulosus histone deacetylase 3 0.0099 0.1185 0.1122
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0152 0.0464
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.003 0.0011 0.0052
Mycobacterium ulcerans polyketide synthase Pks13 0.0148 0.2028 1
Plasmodium falciparum importin beta, putative 0.0057 0.0473 0.2456
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1185 1
Leishmania major histone deacetylase, putative 0.0044 0.0241 0.2036
Loa Loa (eye worm) transcription factor SMAD2 0.022 0.3266 0.3163
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0099 0.1187 0.5856
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0459 0.1404
Loa Loa (eye worm) histone deacetylase 11 0.0044 0.0241 0.0091
Mycobacterium tuberculosis Probable reductase 0.0113 0.1424 0.7024
Schistosoma mansoni hypothetical protein 0.0034 0.0071 0.0071
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0337 0.0188

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 401 nM BindingDB_Patents: Enzyme Assay. The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay. ChEMBL. No reference
IC50 (binding) = 4320 nM Enzyme Assay BINDINGDB. No reference

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

No literature references available for this target.

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