Detailed information for compound 1456661

Basic information

Technical information
  • TDR Targets ID: 1456661
  • Name: 5-[(4-butoxyphenyl)methyl]-1,3-dimethyl-1,3-d iazinane-2,4,6-trione
  • MW: 318.368 | Formula: C17H22N2O4
  • H donors: 0 H acceptors: 3 LogP: 2.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)CC1C(=O)N(C)C(=O)N(C1=O)C
  • InChi: 1S/C17H22N2O4/c1-4-5-10-23-13-8-6-12(7-9-13)11-14-15(20)18(2)17(22)19(3)16(14)21/h6-9,14H,4-5,10-11H2,1-3H3
  • InChiKey: ZVIRBIDBBYOSHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(4-butoxyphenyl)methyl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
  • 5-[(4-butoxyphenyl)methyl]-1,3-dimethylhexahydropyrimidine-2,4,6-trione
  • 5-(4-butoxybenzyl)-1,3-dimethyl-barbituric acid
  • EU-0006885
  • MLS000112020
  • SMR000107938
  • ZINC02997757

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4C Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi jmjC domain containing protein 0.0231 0.581 0.6959
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5342 0.6399
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Brugia malayi TAR-binding protein 0.0127 0.2577 0.3086
Brugia malayi PHD-finger family protein 0.007 0.0805 0.0964
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8349 1
Plasmodium falciparum phd finger protein, putative 0.007 0.0805 0.5
Schistosoma mansoni lipoxygenase 0.0067 0.0688 0.1589
Loa Loa (eye worm) PHD-finger family protein 0.007 0.0805 0.0964
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2577 0.5951
Loa Loa (eye worm) jmjC domain-containing protein 0.0085 0.1268 0.1518
Echinococcus granulosus PHD finger protein rhinoceros 0.007 0.0805 0.1385
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0192 0.4607 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.4998 1
Echinococcus multilocularis tar DNA binding protein 0.0127 0.2577 0.4434
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0231 0.581 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2577 0.5951
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8349 1
Loa Loa (eye worm) TAR-binding protein 0.0127 0.2577 0.3086
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3998 0.3998
Brugia malayi MH2 domain containing protein 0.012 0.2358 0.2825
Echinococcus multilocularis lysine specific demethylase 5A 0.0085 0.1268 0.2182
Plasmodium vivax hypothetical protein, conserved 0.007 0.0805 0.5
Brugia malayi Bromodomain containing protein 0.007 0.0805 0.0964
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.5342 0.6399
Echinococcus granulosus peregrin 0.007 0.0805 0.1385
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2358 0.2825
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2577 0.5951
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0207 0.0207
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0558 0.0558
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.8349 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8349 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3998 0.3998
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.4607 0.5
Brugia malayi jmjC domain containing protein 0.0085 0.1268 0.1518
Echinococcus granulosus jumonji domain containing protein 0.0098 0.1666 0.2868
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0688 0.1184
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.8349 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0085 0.1268 0.2928
Echinococcus granulosus lysine specific demethylase 5A 0.0085 0.1268 0.2182
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0805 0.0964
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0231 0.581 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.2577 0.3086
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2358 0.2825
Brugia malayi RNA binding protein 0.0127 0.2577 0.3086
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0207 0.0207
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Schistosoma mansoni jumonji/arid domain-containing protein 0.0085 0.1268 0.2928
Echinococcus granulosus tar DNA binding protein 0.0127 0.2577 0.4434
Echinococcus multilocularis peregrin 0.007 0.0805 0.1385
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4998 0.5987
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0207 0.0207
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.2577 0.3086
Loa Loa (eye worm) jmjC domain-containing protein 0.0145 0.3147 0.377
Giardia lamblia PHD finger protein 15 0.007 0.0805 1
Echinococcus multilocularis jumonji domain containing protein 0.0098 0.1666 0.2868
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8349 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3998 0.3998
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.007 0.0805 0.1859
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0688 0.1184
Echinococcus multilocularis PHD finger protein rhinoceros 0.007 0.0805 0.1385
Toxoplasma gondii PHD-finger domain-containing protein 0.007 0.0805 1
Schistosoma mansoni jumonji domain containing protein 0.0183 0.4329 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2577 0.5951
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0207 0.0207
Schistosoma mansoni hypothetical protein 0.007 0.0805 0.1859
Toxoplasma gondii PHD-finger domain-containing protein 0.007 0.0805 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2577 0.5951
Loa Loa (eye worm) hypothetical protein 0.0121 0.2376 0.2846
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8349 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.8349 1
Loa Loa (eye worm) RNA binding protein 0.0127 0.2577 0.3086

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 1.757 uM PUBCHEM_BIOASSAY: GASC-1 histone demethylase dose retest Measured in Cell-Free Homogeneous System Using Plate Reader - 2043-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2123] ChEMBL. No reference
AC50 (binding) = 12.49 uM PUBCHEM_BIOASSAY: JMJD2A counterscreen for GASC1 inhibitors Measured in Biochemical System Using Plate Reader - 2043-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2123] ChEMBL. No reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Cherrypicks in WT IDH1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Saccharomyces cerevisiae ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.