Detailed information for compound 446479

Basic information

Technical information
  • TDR Targets ID: 446479
  • Name: N-(2-aminophenyl)-4-[(2,4-dioxo-1,3-benzoxazi n-3-yl)methyl]benzamide
  • MW: 387.388 | Formula: C22H17N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Cn1c(=O)oc2c(c1=O)cccc2)Nc1ccccc1N
  • InChi: 1S/C22H17N3O4/c23-17-6-2-3-7-18(17)24-20(26)15-11-9-14(10-12-15)13-25-21(27)16-5-1-4-8-19(16)29-22(25)28/h1-12H,13,23H2,(H,24,26)
  • InChiKey: OWJKGRAHBHBTQN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-aminophenyl)-4-[(2,4-diketo-1,3-benzoxazin-3-yl)methyl]benzamide

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
Leishmania braziliensis histone deacetylase, 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
Trypanosoma cruzi histone deacetylase 1, 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
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Toxoplasma gondii histone deacetylase HDAC3 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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Neospora caninum 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
Plasmodium yoelii histone deacetylase 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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 hypothetical protein 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 1 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
Plasmodium vivax histone deacetylase 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
Babesia bovis histone deacetylase 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
Giardia lamblia 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
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) histone deacetylase 1 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
Echinococcus granulosus histone deacetylase 3 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 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
Plasmodium falciparum 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
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Leishmania mexicana histone deacetylase, putative 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 1, 2 ,3, 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
Leishmania major 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase 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 infantum 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
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
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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
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
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
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0198 0.1452 0.0006
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0211 0.1571 0.1458
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0198 0.1452 0.1338
Brugia malayi Nuclear hormone receptor-like 1 0.0298 0.2376 0.2275
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Echinococcus granulosus presenilin enhancer 2 0.0211 0.1571 0.2286
Schistosoma mansoni histone deacetylase 0.0077 0.0338 0.0153
Loa Loa (eye worm) hypothetical protein 0.0298 0.2376 0.2275
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0241 0.0366
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.0338 0.0209
Loa Loa (eye worm) hypothetical protein 0.0109 0.0638 0.0513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0496 0.4199 0.4121
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0198 0.1452 0.2113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0496 0.4199 0.4121
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0198 0.1452 0.2208
Loa Loa (eye worm) nuclear receptor NHR-67 0.0198 0.1452 0.1338
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.0338 0.8856
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0063 0.0214 0.1259
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0241 0.0183
Mycobacterium ulcerans short chain dehydrogenase 0.0829 0.727 1
Brugia malayi hypothetical protein 0.0198 0.1452 0.1338
Loa Loa (eye worm) hypothetical protein 0.0298 0.2376 0.2275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0496 0.4199 0.4121
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0298 0.2376 0.3371
Echinococcus granulosus thyroid hormone receptor alpha 0.0786 0.687 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0496 0.4199 0.6247
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0496 0.4199 0.4121
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Onchocerca volvulus 0.0198 0.1452 0.0006
Schistosoma mansoni nuclear receptor nhr-48 0.0198 0.1452 0.1912
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0496 0.4199 0.6385
Echinococcus multilocularis histone deacetylase 1 0.0077 0.0338 0.0514
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0224 0.1698 1
Brugia malayi nuclear receptor NHR-88 0.0496 0.4199 0.4121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0496 0.4199 0.4121
Brugia malayi N-terminal motif family protein 0.0197 0.1447 0.1333
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0198 0.1452 0.2208
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0305 0.2444 0.3717
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0496 0.4199 0.6385
Brugia malayi hypothetical protein 0.0109 0.0638 0.0513
Schistosoma mansoni coup transcription factor 0.0496 0.4199 0.6247
Echinococcus multilocularis gamma secretase subunit aph 1 0.0535 0.4561 0.6935
Brugia malayi Presenilin family protein 0.0224 0.1698 0.1587
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0535 0.4561 0.4489
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Schistosoma mansoni nuclear hormone receptor 0.0198 0.1452 0.1912
Echinococcus granulosus nuclear receptor nhr 48 0.0198 0.1452 0.2113
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0496 0.4199 0.6112
Brugia malayi Presenilin spe-4 0.0079 0.0354 0.0225
Schistosoma mansoni nuclear receptor 0.0198 0.1452 0.1912
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Brugia malayi nuclear hormone receptor 0.0496 0.4199 0.4121
Echinococcus granulosus Nuclear hormone receptor HR96 0.0198 0.1452 0.2113
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0198 0.1452 0.2208
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0224 0.1698 1
Schistosoma mansoni nuclear hormone receptor 0.0198 0.1452 0.1912
Echinococcus multilocularis thyroid hormone receptor alpha 0.0633 0.5466 0.8312
Toxoplasma gondii hypothetical protein 0.0079 0.0354 1
Schistosoma mansoni RAR-like nuclear receptor 0.0496 0.4199 0.6247
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0198 0.1452 0.2113
Onchocerca volvulus 0.0496 0.4199 0.3217
Echinococcus multilocularis histone deacetylase 3 0.0077 0.0338 0.0514
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0496 0.4199 0.4121
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Schistosoma mansoni hypothetical protein 0.0109 0.0638 0.0626
Schistosoma mansoni microtubule-associated protein tau 0.0754 0.6576 1
Brugia malayi Presenilin-like protein At2g29900 0.0079 0.0354 0.0225
Brugia malayi hypothetical protein 0.0079 0.0354 0.0225
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0198 0.1452 0.1338
Brugia malayi ecdysone receptor 0.0198 0.1452 0.1338
Brugia malayi steroid hormone receptor 0.1084 0.9617 0.9612
Brugia malayi nuclear receptor RXR 0.0198 0.1452 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0496 0.4199 0.4121
Echinococcus multilocularis FTZ F1 alpha 0.0496 0.4199 0.6385
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0496 0.4199 0.4121
Loa Loa (eye worm) hypothetical protein 0.0197 0.1447 0.1333
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0496 0.4199 0.6385
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0496 0.4199 0.6112
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0496 0.4199 0.6247
Brugia malayi hypothetical protein 0.0079 0.0354 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0496 0.4199 0.4121
Entamoeba histolytica histone deacetylase, putative 0.0077 0.0338 0.199
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0241 0.0351
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0198 0.1452 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0496 0.4199 0.4121
Echinococcus multilocularis presenilin enhancer 2 0.0211 0.1571 0.2389
Schistosoma mansoni nuclear receptor 0.0198 0.1452 0.1912
Schistosoma mansoni retinoic acid receptor RXR 0.0604 0.5191 0.7814
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0298 0.2376 0.3459
Brugia malayi Nuclear hormone receptor E75 0.0198 0.1452 0.1338
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0496 0.4199 0.6385
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0496 0.4199 0.6385
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0224 0.1698 1
Onchocerca volvulus 0.0198 0.1452 0.0006
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0298 0.2376 0.2275
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Echinococcus granulosus FTZ F1 alpha 0.0496 0.4199 0.6112
Loa Loa (eye worm) nuclear hormone receptor 0.0198 0.1452 0.1338
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0224 0.1698 1
Trichomonas vaginalis Nicastrin precursor, putative 0.0109 0.0638 0.2204
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0496 0.4199 0.6247
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0496 0.4199 0.4121
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0224 0.1698 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0496 0.4199 0.6247
Echinococcus multilocularis Nicastrin 0.0109 0.0638 0.097
Brugia malayi hypothetical protein 0.0298 0.2376 0.2275
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0496 0.4199 0.4121
Brugia malayi nuclear hormone receptor family member odr-7 0.0198 0.1452 0.1338
Loa Loa (eye worm) presenilin spe-4 0.0079 0.0354 0.0225
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Echinococcus granulosus microtubule associated protein 2 0.0754 0.6576 0.9573
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0604 0.5191 0.7556
Brugia malayi hypothetical protein 0.0298 0.2376 0.2275
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0496 0.4199 0.6112
Brugia malayi gamma-secretase subunit aph-1 0.0535 0.4561 0.4489
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0224 0.1698 1
Brugia malayi nuclear receptor NHR-88 0.0198 0.1452 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0496 0.4199 0.4121
Trypanosoma brucei histone deacetylase 1 0.0077 0.0338 0.199
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Echinococcus granulosus histone deacetylase 3 0.0077 0.0338 0.0492
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0138 0.0897 0.1364
Onchocerca volvulus Bile acid receptor homolog 0.1126 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0298 0.2376 0.3371
Loa Loa (eye worm) hypothetical protein 0.0298 0.2376 0.2275
Giardia lamblia Histone deacetylase 0.0077 0.0338 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0496 0.4199 0.6112
Loa Loa (eye worm) steroid hormone receptor 0.1084 0.9617 0.9612
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0198 0.1452 0.2208
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Schistosoma mansoni hypothetical protein 0.0138 0.0897 0.1036
Schistosoma mansoni steroid hormone receptor ad4bp 0.0496 0.4199 0.6247
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0298 0.2376 0.3614
Brugia malayi tailless protein 0.0198 0.1452 0.1338
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0224 0.1698 1
Brugia malayi Histone deacetylase 1 0.0077 0.0338 0.0209
Brugia malayi Nuclear hormone receptor-like 1 0.0298 0.2376 0.2275
Brugia malayi photoreceptor-specific nuclear receptor 0.0496 0.4199 0.4121
Loa Loa (eye worm) hypothetical protein 0.1126 1 1
Schistosoma mansoni zinc finger protein 0.0198 0.1452 0.1912
Trichomonas vaginalis Nicastrin precursor, putative 0.0109 0.0638 0.2204
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0224 0.1698 0.23
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.0338 0.0209
Echinococcus multilocularis presenilin 0.0224 0.1698 0.2582
Brugia malayi nuclear hormone receptor 0.0198 0.1452 0.1338
Schistosoma mansoni nuclear hormone receptor 0.0496 0.4199 0.6247
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.0338 0.0209
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Loa Loa (eye worm) hypothetical protein 0.0077 0.0338 0.0209
Leishmania major histone deacetylase, putative 0.0077 0.0338 0.0837
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.0338 0.8856
Schistosoma mansoni histone deacetylase 0.0077 0.0338 0.0153
Echinococcus granulosus Nuclear hormone receptor HR96 0.0198 0.1452 0.2113
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0496 0.4199 0.6112
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0198 0.1452 0.1912
Loa Loa (eye worm) hypothetical protein 0.0496 0.4199 0.4121
Brugia malayi Nuclear hormone receptor-like 1 0.0496 0.4199 0.4121
Schistosoma mansoni thyroid hormone receptor 0.0633 0.5466 0.8248
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0338 0.199
Entamoeba histolytica presenilin 1 peptidase, putative 0.0224 0.1698 1
Leishmania major histone deacetylase, putative 0.0077 0.0338 0.0837
Brugia malayi hypothetical protein 0.0079 0.0354 0.0225
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0496 0.4199 0.6112
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0198 0.1452 0.1912
Echinococcus granulosus ecdysone induced protein 78C 0.0496 0.4199 0.6112
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0496 0.4199 0.4121
Brugia malayi hypothetical protein 0.0198 0.1452 0.1338
Loa Loa (eye worm) DR-78 0.0198 0.1452 0.1338
Brugia malayi Presenilin spe-4 0.0079 0.0354 0.0225
Brugia malayi Steroid receptor seven-up type 2 0.0496 0.4199 0.4121
Brugia malayi gamma-secretase subunit pen-2 0.0211 0.1571 0.1458
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0496 0.4199 0.4121
Brugia malayi nuclear receptor RXR 0.0298 0.2376 0.2275
Brugia malayi Presenilin spe-4 0.0079 0.0354 0.0225
Plasmodium falciparum histone deacetylase 1 0.0077 0.0338 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0496 0.4199 0.6385
Echinococcus granulosus gamma secretase subunit aph 1 0.0535 0.4561 0.6639
Echinococcus multilocularis microtubule associated protein 2 0.0754 0.6576 1
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0241 0.1936
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.0338 0.5
Echinococcus granulosus histone deacetylase 1 0.0077 0.0338 0.0492
Brugia malayi hypothetical protein 0.0109 0.0638 0.0513
Schistosoma mansoni gamma-secretase subunit aph-1 0.0535 0.4561 0.6819
Brugia malayi conserved hypotetical protein 0.0198 0.1452 0.1338
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0496 0.4199 0.6385
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0496 0.4199 0.4121
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Brugia malayi nuclear receptor NHR-67 0.0198 0.1452 0.1338
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0496 0.4199 0.4121
Trypanosoma brucei Aph-1 protein, putative 0.0209 0.1551 0.9136
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0496 0.4199 0.4121
Echinococcus granulosus presenilin 0.0224 0.1698 0.2471
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0496 0.4199 0.3217
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0496 0.4199 0.6247
Onchocerca volvulus Protein ultraspiracle homolog 0.0496 0.4199 0.3217
Brugia malayi Nuclear hormone receptor E75 0.0198 0.1452 0.1338
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Brugia malayi nuclear hormone receptor family member nhr-6 0.0198 0.1452 0.1338
Echinococcus granulosus Nicastrin 0.0109 0.0638 0.0928
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0338 0.199
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0496 0.4199 0.4121
Brugia malayi orphan nuclear receptor NR2E1 0.0198 0.1452 0.1338
Loa Loa (eye worm) hypothetical protein 0.0298 0.2376 0.2275
Echinococcus multilocularis Nicastrin 0.0109 0.0638 0.097
Loa Loa (eye worm) hypothetical protein 0.0198 0.1452 0.1338
Trypanosoma cruzi Aph-1 protein, putative 0.0209 0.1551 0.9136
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.0338 0.0209
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0138 0.0897 0.1306
Mycobacterium tuberculosis Probable oxidoreductase 0.0829 0.727 1
Trypanosoma cruzi Aph-1 protein, putative 0.0209 0.1551 0.9136
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0496 0.4199 0.4121
Echinococcus multilocularis nuclear receptor nhr 48 0.0198 0.1452 0.2208
Loa Loa (eye worm) hypothetical protein 0.0298 0.2376 0.2275
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0496 0.4199 0.6247
Schistosoma mansoni thyroid hormone receptor 0.0633 0.5466 0.8248

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Apoptosis in human HCT116 cells ChEMBL. 17977726
Activity (functional) 0 Cell cycle arrest in HCT116 cells by accumulation at G2/M phase ChEMBL. 17977726
EC50 (functional) = 1 uM Induction of histone H4 acetylation in human T24 cells after 16 hrs by immunoblot relative to MS-275 ChEMBL. 17977726
EC50 (functional) = 2 uM Induction of p21WAF1/Cip1 expression in human T24 cells assessed as tubulin level after 16 hrs by Western blot analysis relative to MS-275 ChEMBL. 17977726
EC50 (functional) = 2 uM Induction of p21WAF1/Cip1 expression in human T24 cells assessed as tubulin level after 16 hrs by Western blot analysis relative to MS-275 ChEMBL. 17977726
IC50 (binding) = 0.1 uM Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells ChEMBL. 17977726
IC50 (binding) = 0.1 uM Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells ChEMBL. 17977726
IC50 (functional) = 0.3 uM Antiproliferative activity against human HCT116 cells by MTT assay ChEMBL. 17977726
IC50 (functional) = 0.3 uM Antiproliferative activity against human HCT116 cells by MTT assay ChEMBL. 17977726
IC50 (ADMET) = 21 uM Antiproliferative activity against human HMEC cells by MTT assay ChEMBL. 17977726
IC50 (ADMET) = 21 uM Antiproliferative activity against human HMEC cells by MTT assay ChEMBL. 17977726

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17977726

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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