Detailed information for compound 1234764

Basic information

Technical information
  • TDR Targets ID: 1234764
  • Name: 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-phenyl pteridin-7-one
  • MW: 415.445 | Formula: C23H21N5O3
  • H donors: 0 H acceptors: 3 LogP: 2.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c2nc(ncc2nc(c1=O)c1ccccc1)N1CCOCC1
  • InChi: 1S/C23H21N5O3/c1-30-18-9-7-17(8-10-18)28-21-19(15-24-23(26-21)27-11-13-31-14-12-27)25-20(22(28)29)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
  • InChiKey: YIMSSNYBGQLBLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(4-methoxyphenyl)-2-morpholino-6-phenyl-pteridin-7-one
  • 8-(4-methoxyphenyl)-2-morpholino-6-phenyl-7-pteridinone
  • 8-(4-methoxyphenyl)-2-morpholin-4-yl-6-phenyl-pteridin-7-one
  • NCGC00010758
  • PCOP-255358

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 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
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 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
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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 granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 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
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 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
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi Cell death protein 3 precursor caspase 7, apoptosis-related cysteine peptidase 303 aa 256 aa 37.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.0238 0.1245
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Schistosoma mansoni carbonic anhydrase 0.0145 0.0378 0.1967
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0326 0.099 0.5154
Schistosoma mansoni carbonic anhydrase-related 0.0326 0.099 0.5154
Trypanosoma brucei carbonic anhydrase-like protein 0.0603 0.192 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.007 0.003
Loa Loa (eye worm) carbonic anhydrase 3 0.0603 0.192 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.007 0.0366
Mycobacterium leprae Probable transmembrane transport protein 0.0693 0.2224 1
Leishmania major metacaspase, putative 0.0053 0.007 0.0157
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 0.0366 0.1906
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0041 0.0212
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0041 0.0212
Trypanosoma cruzi metacaspase, putative 0.0053 0.007 0.0157
Leishmania major carbonic anhydrase family protein, putative 0.0145 0.0378 0.1793
Schistosoma mansoni carbonic anhydrase-related 0.0326 0.099 0.5154
Echinococcus multilocularis carbonic anhydrase 0.0326 0.099 0.5154
Trypanosoma brucei metacaspase MCA2 0.0053 0.007 0.0157
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0096 0.0212 0.1543
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.0238 0.1238
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0041 0.0212
Chlamydia trachomatis sulfate transporter 0.0096 0.0212 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.0238 0.1238
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0603 0.192 1
Trypanosoma brucei Metacaspase-4 0.0053 0.007 0.0157
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Echinococcus multilocularis carbonic anhydrase 0.0326 0.099 0.5154
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.007 0.0366
Trypanosoma brucei metacaspase 0.0053 0.007 0.0157
Schistosoma mansoni caspase-7 (C14 family) 0.0141 0.0366 0.1906
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0041 0.0212
Brugia malayi hypothetical protein 0.005 0.0058 0.0301
Echinococcus multilocularis caspase 8 0.0053 0.007 0.0366
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0326 0.099 0.5154
Toxoplasma gondii hypothetical protein 0.0326 0.099 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0041 0.0212
Trypanosoma brucei metacaspase 5, putative 0.0053 0.007 0.0157
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0096 0.0212 0.0912
Echinococcus multilocularis carbonic anhydrase II 0.0603 0.192 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0141 0.0366 0.1906
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0326 0.099 0.5154
Plasmodium vivax sulfate transporter, putative 0.0096 0.0212 1
Echinococcus multilocularis carbonic anhydrase 0.0326 0.099 0.5154
Loa Loa (eye worm) hypothetical protein 0.0326 0.099 0.5154
Echinococcus granulosus carbonic anhydrase II 0.0603 0.192 1
Echinococcus granulosus caspase 2 0.0103 0.0238 0.1238
Trypanosoma cruzi metacaspase, putative 0.0053 0.007 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.3002 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0041 0.0212
Echinococcus multilocularis caspase 2 0.0103 0.0238 0.1238
Trypanosoma cruzi metacaspase, putative 0.0053 0.007 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.007 0.003
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0041 0.0212
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0838 0.2711 0.0669
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.007 0.003
Entamoeba histolytica carbonic anhydrase, putative 0.0145 0.0378 1
Onchocerca volvulus 0.005 0.0058 0.0303
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Schistosoma mansoni caspase-3 (C14 family) 0.0141 0.0366 0.1906
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0603 0.192 1
Echinococcus granulosus carbonic anhydrase 0.0326 0.099 0.5154
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0058 0.0301
Schistosoma mansoni carbonic anhydrase-related 0.0326 0.099 0.5154
Trypanosoma cruzi metacaspase, putative 0.0053 0.007 0.0157
Trypanosoma brucei metacaspase MCA3 0.0053 0.007 0.0157
Onchocerca volvulus 0.06 0.191 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0603 0.192 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0603 0.192 1
Echinococcus granulosus caspase 8 0.0053 0.007 0.0366
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.2857 0.9512 1
Schistosoma mansoni hypothetical protein 0.005 0.0058 0.0301
Loa Loa (eye worm) hypothetical protein 0.0053 0.007 0.0366
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0041 0.0212
Brugia malayi Cell death protein 3 precursor 0.0103 0.0238 0.1238
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.007 0.003
Loa Loa (eye worm) hypothetical protein 0.005 0.0058 0.0301
Plasmodium falciparum carbonic anhydrase 0.0326 0.099 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.007 0.003
Echinococcus multilocularis caspase 0.0141 0.0366 0.1906
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0041 0.0212
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0096 0.0212 0.0912
Schistosoma mansoni carbonic anhydrase 0.0326 0.099 0.5154
Onchocerca volvulus Putative sulfate transporter 0.06 0.191 1
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.007 0.0157
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Echinococcus granulosus caspase 3 0.0088 0.0186 0.0969
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Schistosoma mansoni hypothetical protein 0.0326 0.099 0.5154
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.007 0.0157
Leishmania major carbonic anhydrase-like protein 0.0603 0.192 1
Echinococcus granulosus carbonic anhydrase 0.0326 0.099 0.5154
Echinococcus granulosus caspase 0.0141 0.0366 0.1906
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.007 0.003
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0603 0.192 1
Loa Loa (eye worm) hypothetical protein 0.0326 0.099 0.5154
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0096 0.0212 0.1543
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0326 0.099 0.5154
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0326 0.099 0.5154
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0041 0.0212
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0058 0.0301
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0603 0.192 1
Echinococcus multilocularis caspase 3 0.0088 0.0186 0.0969
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0096 0.0212 0.0912
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0326 0.099 0.5154
Trichomonas vaginalis conserved hypothetical protein 0.3002 1 1
Mycobacterium ulcerans carbonic anhydrase 0.0145 0.0378 0.0169
Echinococcus granulosus carbonic anhydrase 0.0326 0.099 0.5154
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0041 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Loa Loa (eye worm) hypothetical protein 0.0326 0.099 0.5154
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.007 0.003
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0603 0.192 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 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

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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