Detailed information for compound 1451527

Basic information

Technical information
  • TDR Targets ID: 1451527
  • Name: 3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazi n-1-yl]butan-1-one
  • MW: 305.372 | Formula: C16H23N3O3
  • H donors: 0 H acceptors: 3 LogP: 2.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-])C
  • InChi: 1S/C16H23N3O3/c1-13(2)10-16(20)18-8-6-17(7-9-18)12-14-4-3-5-15(11-14)19(21)22/h3-5,11,13H,6-10,12H2,1-2H3
  • InChiKey: XZSBDUSINWPOSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-1-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]butan-1-one
  • 3-methyl-1-[4-(3-nitrobenzyl)piperazin-1-yl]butan-1-one
  • 3-Methyl-1-[4-(3-nitro-benzyl)-piperazin-1-yl]-butan-1-one
  • BAS 01234425
  • MLS000765814
  • SMR000278920
  • Oprea1_234779
  • Oprea1_291063
  • ST5301451

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus Transcription factor JmjC domain containing 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
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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 Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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 mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.007 0.0487
Loa Loa (eye worm) MBCTL1 0.0066 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0247 0.0962 0.0962
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0325 0.1324 0.1324
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0042 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.003 0.0053
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.007 0.0487
Brugia malayi hypothetical protein 0.0043 0.0004 0.0004
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1457 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0038 0.0179
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0042 0.5
Schistosoma mansoni chromobox protein 0.0084 0.0195 0.135
Brugia malayi Choline O-acetyltransferase 0.0247 0.0962 0.0962
Echinococcus granulosus choline O acetyltransferase 0.0247 0.0962 0.1706
Brugia malayi mbt repeat family protein 0.0058 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.006 0.0083 0.0083
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0622 0.1103
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.003 0.0053
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0195 0.0195
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.007 0.0487
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0141 0.0141
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0004 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0108 0.0191
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.061 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0325 0.1324 0.2348
Schistosoma mansoni hypothetical protein 0.035 0.1444 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0622 0.0622
Echinococcus granulosus chromobox protein 1 0.0084 0.0195 0.0346
Onchocerca volvulus 0.0247 0.0962 1
Loa Loa (eye worm) hypothetical protein 0.2172 1 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0108 0.0191
Onchocerca volvulus 0.0058 0.007 0.0521
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0341 0.0605
Onchocerca volvulus 0.0247 0.0962 1
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.007 0.0125
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0325 0.1324 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0325 0.1324 0.2348
Echinococcus multilocularis choline O acetyltransferase 0.0247 0.0962 0.1706
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.0866 0.1535
Loa Loa (eye worm) hypothetical protein 0.0058 0.007 0.007
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1244 0.564 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0108 0.0747
Echinococcus multilocularis chromobox protein 1 0.0084 0.0195 0.0346
Schistosoma mansoni chromobox protein 0.0084 0.0195 0.135
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.0866 0.1535
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0038 0.0117
Echinococcus granulosus chromobox protein 1 0.0084 0.0195 0.0346
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0021 0.0121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Brugia malayi jmjC domain containing protein 0.0115 0.0341 0.0341
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0325 0.1324 0.1324
Loa Loa (eye worm) hypothetical protein 0.0047 0.0021 0.0021
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0042 0.0141
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0341 0.0605
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.007 0.0125
Onchocerca volvulus 0.0247 0.0962 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0004 0.0027
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.061 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0108 0.0108
Schistosoma mansoni jumonji domain containing protein 0.0092 0.023 0.1593
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0325 0.1324 0.0775
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0042 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0108 0.0191
Onchocerca volvulus 0.0247 0.0962 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.007 0.0125
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.061 0.5
Loa Loa (eye worm) choline O-acetyltransferase 0.0247 0.0962 0.0962
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.007 0.007
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0004 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0042 0.0141
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0038 0.0117
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1244 0.564 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0622 0.4305
Schistosoma mansoni choline o-acyltransferase 0.0247 0.0962 0.666
Brugia malayi mbt repeat family protein 0.0058 0.007 0.007
Echinococcus multilocularis chromobox protein 1 0.0084 0.0195 0.0346
Brugia malayi Choline O-acetyltransferase 0.0247 0.0962 0.0962
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0021 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0195 0.1209
Loa Loa (eye worm) hypothetical protein 0.0066 0.0108 0.0108
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.007 0.0521
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0247 0.0962 0.0962
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0042 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0247 0.0962 0.0962
Leishmania major carnitine palmitoyltransferase-like protein 0.0325 0.1324 0.0775
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1244 0.564 1
Schistosoma mansoni hypothetical protein 0.0043 0.0004 0.0027
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.007 0.0125
Loa Loa (eye worm) acetyltransferase 0.0175 0.0622 0.0622
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1244 0.564 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0195 0.1209
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1457 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0195 0.0195
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1244 0.564 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0108 0.0191
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1457 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0021 0.0021
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1457 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0599 0.1062
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1457 0.5
Schistosoma mansoni choline o-acyltransferase 0.0247 0.0962 0.666

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2512 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9054 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

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