Detailed information for compound 1439174

Basic information

Technical information
  • TDR Targets ID: 1439174
  • Name: 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl amino]-1-phenylethanol
  • MW: 367.869 | Formula: C22H22ClNO2
  • H donors: 2 H acceptors: 1 LogP: 4.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNCC(c1ccc(cc1)Cl)(c1ccccc1)O
  • InChi: 1S/C22H22ClNO2/c1-26-21-13-7-17(8-14-21)15-24-16-22(25,18-5-3-2-4-6-18)19-9-11-20(23)12-10-19/h2-14,24-25H,15-16H2,1H3
  • InChiKey: LKVPXJLABQUOEI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1-phenyl-ethanol
  • 1-(4-chlorophenyl)-2-[(4-methoxybenzyl)amino]-1-phenyl-ethanol
  • Oprea1_193533
  • 1-(4-chlorophenyl)-2-[(4-methoxybenzyl)amino]-1-phenyl-1-ethanol
  • MLS000327600
  • SMR000180566
  • 12H-350S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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 intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament 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
Schistosoma japonicum ko:K07611 lamin, putative 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 Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Schistosoma japonicum expressed 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
Loa Loa (eye worm) intermediate filament tail domain-containing 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 lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing 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
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
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2696 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0299
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0765 0.1566
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0254 0.0299 0.0299
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0903 0.2878 0.2878
Entamoeba histolytica hypothetical protein 0.0751 0.2272 0.6235
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0303 0.0494 0.0494
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0535 0.1414 0.4353
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0407 0.0904 0.2481
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0254 0.0299 0.0299
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0299 0.0919
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0879 0.278 0.7629
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1235 0.4194 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0254 0.0299 0.0299
Schistosoma mansoni hypothetical protein 0.0372 0.0765 0.0765
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0483 0.1205 0.1205
Entamoeba histolytica hypothetical protein 0.0483 0.1205 0.3308
Schistosoma mansoni hypothetical protein 0.0356 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.0263 0.0333 0.0682
Echinococcus granulosus neuropeptide s receptor 0.0566 0.1535 0.1535
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.3644 0.8688
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0407 0.0904 0.0904
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0407 0.0904 0.0904
Toxoplasma gondii FATC domain-containing protein 0.0483 0.1205 0.371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0661 0.1914 0.4564
Echinococcus multilocularis serine protein kinase ATM 0.0483 0.1205 0.1205
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1096 0.3644 0.8688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1561 0.549 0.549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Schistosoma mansoni hypothetical protein 0.0205 0.0101 0.0101
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0254 0.0299 0.0819
Loa Loa (eye worm) hypothetical protein 0.0641 0.1833 0.3753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1835 0.4374
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0903 0.2878 0.6861
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Loa Loa (eye worm) phosphatidylinositol 3 0.1235 0.4194 0.8588
Trichomonas vaginalis PIKK family atypical protein kinase 0.1235 0.4194 1
Schistosoma mansoni hypothetical protein 0.0205 0.0101 0.0101
Leishmania major phosphatidylinositol 3-kinase, putative 0.0254 0.0299 0.0712
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0407 0.0904 0.2156
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0407 0.0904 0.2481
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0483 0.1205 0.1205
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0299 0.0919
Mycobacterium leprae conserved hypothetical protein 0.0179 0 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0751 0.2272 0.6235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Loa Loa (eye worm) phosphatidylinositol 3 0.1408 0.4884 1
Echinococcus multilocularis neuropeptide s receptor 0.0566 0.1535 0.1535
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0641 0.1833 0.1833
Loa Loa (eye worm) hypothetical protein 0.0535 0.1414 0.2896
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1096 0.3644 0.3644
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.3644 0.8688
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1096 0.3644 0.3644
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0356 0.0703 0.0703
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0254 0.0299 0.0299
Echinococcus granulosus neuropeptide receptor A26 0.0566 0.1535 0.1535
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1096 0.3644 0.3644
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0254 0.0299 0.0712
Echinococcus multilocularis snurportin 1 0.0372 0.0765 0.0765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2934 0.6995
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0332 0.0606 0.1662
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0254 0.0299 0.0819
Onchocerca volvulus 0.0182 0.0013 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0254 0.0299 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1017 0.333 0.7939
Trichomonas vaginalis PIKK family atypical protein kinase 0.0938 0.3015 0.7187
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1235 0.4194 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1096 0.3644 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0839 0.262 0.6246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0483 0.1205 0.2874
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0483 0.1205 0.1205
Echinococcus granulosus geminin 0.0205 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0483 0.1205 0.2874
Trichomonas vaginalis PIKK family atypical protein kinase 0.0714 0.2123 0.5062
Trypanosoma brucei C-8 sterol isomerase, putative 0.0373 0.077 0.1836
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0657 0.19 0.19
Trichomonas vaginalis PIKK family atypical protein kinase 0.1096 0.3644 0.8688
Loa Loa (eye worm) hypothetical protein 0.0373 0.077 0.1577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0903 0.2878 0.6861
Trichomonas vaginalis PIKK family atypical protein kinase 0.1017 0.3329 0.7936
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2934 0.6995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2696 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0407 0.0904 0.2156
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0407 0.0904 0.0904
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0254 0.0299 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0517 0.1343 0.3686
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0303 0.0494 0.1177
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0407 0.0904 0.2156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2934 0.6995
Echinococcus multilocularis geminin 0.0205 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0918 0.2935 0.6998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1835 0.4374
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2696 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0879 0.278 0.6628
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0254 0.0299 0.0712
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1096 0.3644 0.8688
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.067 0.1949 0.4647
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0356 0.0703 0.0703
Entamoeba histolytica protein kinase rad3, putative 0.0483 0.1205 0.3308
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1096 0.3644 0.8688
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1096 0.3644 0.3644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1835 0.4374
Schistosoma mansoni fkbp-rapamycin associated protein 0.0483 0.1205 0.1205
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0615 0.173 0.4124
Loa Loa (eye worm) hypothetical protein 0.0396 0.0863 0.1766
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0483 0.1205 0.1205
Giardia lamblia GTOR 0.1096 0.3644 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0013 0.0027
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0641 0.1833 0.1833
Brugia malayi hypothetical protein 0.0182 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0191 0.0046 0.0093
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0483 0.1205 0.1205
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1096 0.3644 0.3644
Loa Loa (eye worm) hypothetical protein 0.0303 0.0494 0.101
Trichomonas vaginalis conserved hypothetical protein 0.0535 0.1414 0.3372
Trypanosoma cruzi target of rapamycin kinase 3 0.1017 0.333 0.333
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0488 0.1227 0.3368
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0441 0.1041 0.1041
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0483 0.1205 0.1205
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0373 0.077 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0228 0.0192 0.0192
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0483 0.1205 0.1205
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0254 0.0299 0.0712
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0407 0.0904 0.2156
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0338 0.0629 0.15
Trichomonas vaginalis PIKK family atypical protein kinase 0.0938 0.3015 0.7187
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0712
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1096 0.3644 0.3644
Loa Loa (eye worm) phosphatidylinositol 3 0.1096 0.3644 0.7461
Trichomonas vaginalis conserved hypothetical protein 0.0303 0.0494 0.1177
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0254 0.0299 0.0299
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1561 0.549 0.549
Loa Loa (eye worm) hypothetical protein 0.0356 0.0703 0.1438
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0903 0.2878 0.2878
Brugia malayi FAT domain containing protein 0.0356 0.0703 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0258 0.0314 0.0749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0373 0.077 0.077
Echinococcus multilocularis neuropeptide receptor A26 0.0566 0.1535 0.1535
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1096 0.3644 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0903 0.2878 0.2878
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0641 0.1833 0.1833
Toxoplasma gondii target of rapamycin (TOR), putative 0.0997 0.3249 1
Echinococcus granulosus serine protein kinase ATM 0.0483 0.1205 0.1205
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1096 0.3644 0.8688
Trichomonas vaginalis conserved hypothetical protein 0.0356 0.0703 0.1675
Leishmania major C-8 sterol isomerase-like protein 0.0373 0.077 0.1836
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0254 0.0299 0.0611
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2696 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0228 0.0192 0.0394
Trichomonas vaginalis PIKK family atypical protein kinase 0.074 0.223 0.5316
Echinococcus multilocularis Zinc finger, PHD finger 0.0254 0.0299 0.0299
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.067 0.1949 0.4647
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0903 0.2878 0.6861
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0441 0.1041 0.1041
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0254 0.0299 0.0299
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0254 0.0299 0.0299
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1017 0.333 0.7939
Loa Loa (eye worm) hypothetical protein 0.0483 0.1205 0.2468
Trichomonas vaginalis PIKK family atypical protein kinase 0.0839 0.262 0.6246
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0483 0.1205 0.2874
Leishmania major phosphatidylinositol 3-kinase, putative 0.0839 0.262 0.6246
Leishmania major hypothetical protein, conserved 0.0272 0.0369 0.088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0997 0.3249 0.7746
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2696 1 1
Echinococcus granulosus snurportin 1 0.0372 0.0765 0.0765
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1561 0.549 0.549
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0724 0.2166 0.5943
Loa Loa (eye worm) hypothetical protein 0.0396 0.0863 0.1766
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0903 0.2878 0.7897

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) 15.8489 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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 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 (functional) 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.

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