Detailed information for compound 446480

Basic information

Technical information
  • TDR Targets ID: 446480
  • Name: N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin -3-yl)methyl]benzamide
  • MW: 386.403 | Formula: C22H18N4O3
  • H donors: 3 H acceptors: 3 LogP: 2.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Cn1c(=O)[nH]c2c(c1=O)cccc2)Nc1ccccc1N
  • InChi: 1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29)
  • InChiKey: FOVMHXCGSPMFTG-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • N-(2-aminophenyl)-4-[(2,4-diketo-1H-quinazolin-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
Echinococcus granulosus histone deacetylase 1 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 falciparum histone deacetylase 1 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
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
Schistosoma mansoni histone deacetylase 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 1, 2 ,3, 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
Brugia malayi histone deacetylase 3 (HD3) 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 congolense histone deacetylase-like 1 protein, 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 yoelii histone deacetylase 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 major 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 infantum 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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
Plasmodium knowlesi 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
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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
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
Trichomonas vaginalis 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
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
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) hypothetical protein 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
Entamoeba histolytica 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
Leishmania donovani 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
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
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
Leishmania major 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
Trypanosoma brucei histone deacetylase 1 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 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
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
Trypanosoma cruzi histone deacetylase 1, putative 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
Echinococcus granulosus histone deacetylase 3 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
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0502 0.4207 0.413
Brugia malayi nuclear hormone receptor family member nhr-6 0.0204 0.1493 0.1379
Brugia malayi ecdysone receptor 0.0204 0.1493 0.1379
Onchocerca volvulus 0.0204 0.1493 0.0055
Schistosoma mansoni microtubule-associated protein tau 0.0761 0.657 1
Loa Loa (eye worm) hypothetical protein 0.0298 0.2344 0.2242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0502 0.4207 0.413
Leishmania major histone deacetylase, putative 0.0077 0.0331 0.0791
Schistosoma mansoni hypothetical protein 0.011 0.0637 0.0626
Brugia malayi Presenilin spe-4 0.0079 0.0354 0.0225
Brugia malayi nuclear receptor NHR-88 0.0204 0.1493 0.1379
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0502 0.4207 0.413
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.0298 0.2344 0.2242
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0502 0.4207 0.6403
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0227 0.1696 0.23
Brugia malayi nuclear hormone receptor 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.0298 0.2344 0.2242
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0298 0.2344 0.3323
Mycobacterium ulcerans short chain dehydrogenase 0.1109 0.9741 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0502 0.4207 0.413
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.0331 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0761 0.657 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0502 0.4207 0.3228
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0502 0.4207 0.413
Loa Loa (eye worm) nuclear receptor NHR-67 0.0204 0.1493 0.1379
Loa Loa (eye worm) DR-78 0.0204 0.1493 0.1379
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0064 0.0213 0.1259
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0502 0.4207 0.6266
Brugia malayi nuclear receptor RXR 0.0298 0.2344 0.2242
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0298 0.2344 0.3568
Brugia malayi Presenilin family protein 0.0227 0.1696 0.1586
Brugia malayi nuclear receptor NHR-67 0.0204 0.1493 0.1379
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0139 0.0896 0.1364
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0502 0.4207 0.6266
Echinococcus multilocularis histone deacetylase 3 0.0077 0.0331 0.0504
Echinococcus multilocularis presenilin 0.0227 0.1696 0.2582
Echinococcus multilocularis histone deacetylase 1 0.0077 0.0331 0.0504
Onchocerca volvulus 0.0204 0.1493 0.0055
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0139 0.0896 0.1298
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0227 0.1696 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0241 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0502 0.4207 0.413
Brugia malayi tailless protein 0.0204 0.1493 0.1379
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0204 0.1493 0.2272
Echinococcus multilocularis presenilin enhancer 2 0.0213 0.1569 0.2389
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 0.1493 0.2162
Brugia malayi N-terminal motif family protein 0.0199 0.1445 0.1332
Loa Loa (eye worm) hypothetical protein 0.0298 0.2344 0.2242
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0502 0.4207 0.413
Brugia malayi nuclear hormone receptor 0.0204 0.1493 0.1379
Leishmania major histone deacetylase, putative 0.0077 0.0331 0.0791
Brugia malayi hypothetical protein 0.0079 0.0354 0.0225
Schistosoma mansoni nuclear receptor 0.0204 0.1493 0.1978
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0502 0.4207 0.6403
Echinococcus granulosus ecdysone induced protein 78C 0.0502 0.4207 0.6094
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Echinococcus granulosus Nicastrin 0.011 0.0637 0.0923
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0611 0.5198 0.753
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0227 0.1696 1
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.0331 0.0202
Echinococcus granulosus gamma secretase subunit aph 1 0.054 0.4556 0.66
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0204 0.1493 0.2162
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0502 0.4207 0.6403
Brugia malayi Nuclear hormone receptor-like 1 0.0298 0.2344 0.2242
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0502 0.4207 0.6094
Echinococcus granulosus thyroid hormone receptor alpha 0.0798 0.6903 1
Schistosoma mansoni nuclear hormone receptor 0.0502 0.4207 0.6266
Schistosoma mansoni histone deacetylase 0.0077 0.0331 0.0143
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0241 0.1936
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.1137 1 1
Schistosoma mansoni zinc finger protein 0.0204 0.1493 0.1978
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0204 0.1493 0.1978
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.0331 0.0202
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0298 0.2344 0.3396
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0227 0.1696 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0204 0.1493 0.2272
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0298 0.2344 0.2242
Schistosoma mansoni steroid hormone receptor ad4bp 0.0502 0.4207 0.6266
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0204 0.1493 0.1379
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Schistosoma mansoni thyroid hormone receptor 0.0641 0.5473 0.8267
Giardia lamblia Histone deacetylase 0.0077 0.0331 0.5
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.0331 0.8375
Echinococcus multilocularis ecdysone induced protein 78C 0.0502 0.4207 0.6403
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0502 0.4207 0.3228
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0502 0.4207 0.6094
Echinococcus granulosus microtubule associated protein 2 0.0761 0.657 0.9517
Echinococcus multilocularis FTZ F1 alpha 0.0502 0.4207 0.6403
Loa Loa (eye worm) hypothetical protein 0.011 0.0637 0.0512
Echinococcus granulosus Nuclear hormone receptor HR96 0.0204 0.1493 0.2162
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0502 0.4207 0.6266
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0502 0.4207 0.413
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0241 0.0366
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0502 0.4207 0.6266
Brugia malayi Nuclear hormone receptor E75 0.0204 0.1493 0.1379
Loa Loa (eye worm) hypothetical protein 0.0077 0.0331 0.0202
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.0331 0.0202
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0213 0.1569 0.1457
Schistosoma mansoni nuclear receptor 0.0204 0.1493 0.1978
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Trypanosoma brucei Aph-1 protein, putative 0.0211 0.155 0.9136
Echinococcus granulosus histone deacetylase 1 0.0077 0.0331 0.0479
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Loa Loa (eye worm) nuclear hormone receptor 0.0204 0.1493 0.1379
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0502 0.4207 0.413
Brugia malayi photoreceptor-specific nuclear receptor 0.0502 0.4207 0.413
Brugia malayi nuclear receptor NHR-88 0.0502 0.4207 0.413
Plasmodium falciparum histone deacetylase 1 0.0077 0.0331 0.5
Brugia malayi hypothetical protein 0.0298 0.2344 0.2242
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0502 0.4207 0.6403
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Echinococcus multilocularis Nicastrin 0.011 0.0637 0.097
Echinococcus multilocularis Nicastrin 0.011 0.0637 0.097
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0227 0.1696 1
Trypanosoma cruzi Aph-1 protein, putative 0.0211 0.155 0.9136
Schistosoma mansoni hypothetical protein 0.0139 0.0896 0.1036
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0502 0.4207 0.6094
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0204 0.1493 0.0055
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Brugia malayi hypothetical protein 0.0079 0.0354 0.0225
Echinococcus granulosus FTZ F1 alpha 0.0502 0.4207 0.6094
Entamoeba histolytica presenilin 1 peptidase, putative 0.0227 0.1696 1
Brugia malayi gamma-secretase subunit pen-2 0.0213 0.1569 0.1457
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0204 0.1493 0.1379
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0331 0.195
Trypanosoma cruzi Aph-1 protein, putative 0.0211 0.155 0.9136
Onchocerca volvulus Bile acid receptor homolog 0.1137 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0502 0.4207 0.6266
Echinococcus multilocularis gamma secretase subunit aph 1 0.054 0.4556 0.6935
Brugia malayi hypothetical protein 0.011 0.0637 0.0512
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0502 0.4207 0.413
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0502 0.4207 0.413
Brugia malayi hypothetical protein 0.0204 0.1493 0.1379
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0204 0.1493 0.2272
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0227 0.1696 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 0.1493 0.2272
Toxoplasma gondii hypothetical protein 0.0079 0.0354 1
Brugia malayi gamma-secretase subunit aph-1 0.054 0.4556 0.4484
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.0331 0.8375
Brugia malayi Nuclear hormone receptor-like 1 0.0298 0.2344 0.2242
Echinococcus granulosus presenilin enhancer 2 0.0213 0.1569 0.2273
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0298 0.2344 0.3323
Brugia malayi Nuclear hormone receptor E75 0.0204 0.1493 0.1379
Brugia malayi hypothetical protein 0.0079 0.0354 0.0225
Brugia malayi Presenilin spe-4 0.0079 0.0354 0.0225
Brugia malayi nuclear hormone receptor family member odr-7 0.0204 0.1493 0.1379
Schistosoma mansoni nuclear hormone receptor 0.0204 0.1493 0.1978
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Echinococcus granulosus histone deacetylase 3 0.0077 0.0331 0.0479
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0502 0.4207 0.6094
Brugia malayi nuclear receptor RXR 0.0204 0.1493 0.1379
Echinococcus multilocularis thyroid hormone receptor alpha 0.0641 0.5473 0.833
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Brugia malayi Histone deacetylase 1 0.0077 0.0331 0.0202
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0502 0.4207 0.413
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0227 0.1696 1
Brugia malayi conserved hypotetical protein 0.0204 0.1493 0.1379
Brugia malayi Presenilin-like protein At2g29900 0.0079 0.0354 0.0225
Schistosoma mansoni retinoic acid receptor RXR 0.0611 0.5198 0.7833
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0204 0.1493 0.1978
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0331 0.195
Schistosoma mansoni coup transcription factor 0.0502 0.4207 0.6266
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.0331 0.0202
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0502 0.4207 0.6266
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0204 0.1493 0.0055
Loa Loa (eye worm) presenilin spe-4 0.0079 0.0354 0.0225
Brugia malayi steroid hormone receptor 0.1096 0.9617 0.9612
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0502 0.4207 0.6403
Brugia malayi hypothetical protein 0.0298 0.2344 0.2242
Loa Loa (eye worm) hypothetical protein 0.0502 0.4207 0.413
Brugia malayi Presenilin spe-4 0.0079 0.0354 0.0225
Schistosoma mansoni nuclear receptor nhr-48 0.0204 0.1493 0.1978
Trichomonas vaginalis Nicastrin precursor, putative 0.011 0.0637 0.2243
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.054 0.4556 0.4484
Trichomonas vaginalis Nicastrin precursor, putative 0.011 0.0637 0.2243
Echinococcus granulosus nuclear receptor nhr 48 0.0204 0.1493 0.2162
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0502 0.4207 0.6094
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0227 0.1696 1
Loa Loa (eye worm) hypothetical protein 0.0298 0.2344 0.2242
Mycobacterium tuberculosis Probable oxidoreductase 0.1109 0.9741 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.1445 0.1332
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0502 0.4207 0.413
Echinococcus granulosus Nuclear hormone receptor HR96 0.0204 0.1493 0.2162
Brugia malayi orphan nuclear receptor NR2E1 0.0204 0.1493 0.1379
Onchocerca volvulus 0.0502 0.4207 0.3228
Brugia malayi hypothetical protein 0.011 0.0637 0.0512
Trypanosoma brucei histone deacetylase 1 0.0077 0.0331 0.195
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0241 0.0183
Echinococcus granulosus presenilin 0.0227 0.1696 0.2457
Brugia malayi Steroid receptor seven-up type 2 0.0502 0.4207 0.413
Schistosoma mansoni thyroid hormone receptor 0.0641 0.5473 0.8267
Brugia malayi hypothetical protein 0.0204 0.1493 0.1379
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0502 0.4207 0.6094
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Entamoeba histolytica histone deacetylase, putative 0.0077 0.0331 0.195
Schistosoma mansoni RAR-like nuclear receptor 0.0502 0.4207 0.6266
Loa Loa (eye worm) steroid hormone receptor 0.1096 0.9617 0.9612
Schistosoma mansoni gamma-secretase subunit aph-1 0.054 0.4556 0.6819
Schistosoma mansoni histone deacetylase 0.0077 0.0331 0.0143
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0502 0.4207 0.413
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0313 0.2484 0.3781
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0502 0.4207 0.413
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0502 0.4207 0.6403
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0502 0.4207 0.413
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Schistosoma mansoni nuclear hormone receptor 0.0204 0.1493 0.1978
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0204 0.1493 0.2272
Loa Loa (eye worm) hypothetical protein 0.0204 0.1493 0.1379
Brugia malayi Nuclear hormone receptor-like 1 0.0502 0.4207 0.413

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) = 0.06 uM Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells ChEMBL. 17977726
IC50 (binding) = 0.06 uM Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells ChEMBL. 17977726
IC50 (functional) = 0.6 uM Inhibition of human HCT116 cells ChEMBL. 18247554
IC50 (functional) = 0.6 uM Inhibition of human HCT116 cells ChEMBL. 18247554
IC50 (functional) = 0.8 uM Antiproliferative activity against human HCT116 cells by MTT assay ChEMBL. 17977726
IC50 (functional) = 0.8 uM Antiproliferative activity against human HCT116 cells by MTT assay ChEMBL. 17977726
IC50 (binding) = 2 uM Inhibition of HDAC1 (unknown origin) ChEMBL. 18247554
IC50 (binding) = 2 uM Inhibition of HDAC1 (unknown origin) ChEMBL. 18247554
IC50 (ADMET) = 18 uM Antiproliferative activity against human HMEC cells by MTT assay ChEMBL. 17977726
IC50 (ADMET) = 18 uM Antiproliferative activity against human HMEC cells by MTT assay ChEMBL. 17977726
Inhibition (functional) = 51 % Antitumor activity against HCT116 xenografted nude mouse assessed as tumor growth inhibition at 20 mg/kg, ip after 14 days ChEMBL. 17977726
Inhibition (functional) = 51 % Antitumor activity against HCT116 xenografted nude mouse assessed as tumor growth inhibition at 20 mg/kg, ip after 14 days ChEMBL. 17977726
Inhibition (functional) = 59 % Antitumor activity against HCT116 xenografted nude mouse assessed as tumor growth inhibition at 40 mg/kg, ip after 14 days ChEMBL. 17977726
Inhibition (functional) = 59 % Antitumor activity against HCT116 xenografted nude mouse assessed as tumor growth inhibition at 40 mg/kg, ip after 14 days 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

2 literature references were collected for this gene.

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