Detailed information for compound 1433980

Basic information

Technical information
  • TDR Targets ID: 1433980
  • Name: 6-(dimethoxymethyl)-2-[(4-methylphenyl)methyl sulfanyl]pyridine-3-carbonitrile
  • MW: 314.402 | Formula: C17H18N2O2S
  • H donors: 0 H acceptors: 2 LogP: 2.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(nc1SCc1ccc(cc1)C)C(OC)OC
  • InChi: 1S/C17H18N2O2S/c1-12-4-6-13(7-5-12)11-22-16-14(10-18)8-9-15(19-16)17(20-2)21-3/h4-9,17H,11H2,1-3H3
  • InChiKey: QKVAHUYOCBLAGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(dimethoxymethyl)-2-[(4-methylphenyl)methylthio]-3-pyridinecarbonitrile
  • 6-(dimethoxymethyl)-2-[(4-methylbenzyl)thio]nicotinonitrile
  • SPB 04328
  • MLS000833981
  • SMR000461500
  • Maybridge4_004485
  • ZINC00123508

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0055 0.0326 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.3017 0.299
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0132 0.1481 0.1332
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.07 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0055 0.0326 0.0251
Loa Loa (eye worm) phosphatidylinositol 3 0.07 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0045 0.0172 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0414 0.5709 0.5693
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0048 0.0211 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0188 0.2313 0.2283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0087 0.0803 0.0768
Loa Loa (eye worm) hypothetical protein 0.0143 0.1635 0.1635
Leishmania major cytochrome p450-like protein 0.0075 0.0625 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0454 0.6314 0.63
Loa Loa (eye worm) phosphatidylinositol kinase 0.0045 0.0172 0.0172
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0172 0.0096
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0077 0.0077
Echinococcus multilocularis fk506 binding protein 0.0055 0.0326 0.0251
Leishmania major phosphatidylinositol 3-kinase, putative 0.0235 0.3017 0.2895
Loa Loa (eye worm) hypothetical protein 0.0041 0.0112 0.0112
Entamoeba histolytica protein kinase rad3, putative 0.0132 0.1481 0.1332
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0132 0.1481 0.1332
Onchocerca volvulus 0.0045 0.0172 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0172 0.0096
Loa Loa (eye worm) hypothetical protein 0.0045 0.0172 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.07 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0055 0.0326 0.0156
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0055 0.0326 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0378 0.5167 0.5148
Toxoplasma gondii target of rapamycin (TOR), putative 0.052 0.7308 1
Brugia malayi Cytochrome P450 family protein 0.0075 0.0625 0.0552
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0172 0.0096
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0132 0.1481 0.1415
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0235 0.3017 0.2895
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0172 0.0134
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0055 0.0326 0.0156
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0172 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0378 0.5167 0.5148
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.785 0.7842
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.103 0.0996
Schistosoma mansoni immunophilin 0.0055 0.0326 0.0216
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0235 0.3017 0.2963
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.07 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0055 0.0326 0.0288
Loa Loa (eye worm) hypothetical protein 0.0048 0.0211 0.0211
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0172 0.0096
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0172 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0597 0.8464 0.8458
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0172 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.785 0.7842
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0331 0.4463 0.4366
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0055 0.0326 0.0156
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0055 0.0326 0.0288
Echinococcus multilocularis Zinc finger, PHD finger 0.0045 0.0172 0.0096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0398 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0414 0.5709 0.5693
Loa Loa (eye worm) hypothetical protein 0.0045 0.0172 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0172 0.0134
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0055 0.0326 0.0251
Loa Loa (eye worm) cytochrome P450 family protein 0.0075 0.0625 0.0625
Loa Loa (eye worm) FKBP5 protein 0.0055 0.0326 0.0326
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.013 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0377 0.5158 0.514
Echinococcus multilocularis 0.0045 0.0172 0.0096
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0803 0.0768
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0102 0.103 0.0961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0418 0.5772 0.5755
Schistosoma mansoni immunophilin 0.0048 0.0211 0.01
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0557 0.7859 0.7822
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0398 0.0324
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0045 0.0172 0.0096
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0045 0.0172 0.0134
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0132 0.1481 0.1415
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0045 0.0172 0.0061
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0045 0.0172 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.785 0.7842
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0075 0.0625 1
Leishmania major fk506-binding protein 1-like protein 0.0055 0.0326 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.1481 0.1448
Trichomonas vaginalis PIKK family atypical protein kinase 0.0378 0.5167 0.5148
Loa Loa (eye worm) cytochrome P450 family protein 0.0075 0.0625 0.0625
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0045 0.0172 0.0061
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0132 0.1481 0.1415
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.07 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0398 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0045 0.0172 0.0134
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0055 0.0326 0.0156
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0132 0.1481 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.785 0.7842
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0172 0.0172
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0235 0.3017 0.2895
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.07 1 1
Echinococcus granulosus serine protein kinase ATM 0.0132 0.1481 0.1415
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0235 0.3017 0.2963
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0045 0.0172 0.0096
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0055 0.0326 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.3017 0.299
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0045 0.0172 0.0096
Loa Loa (eye worm) hypothetical protein 0.0054 0.0299 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.3017 0.299
Loa Loa (eye worm) hypothetical protein 0.0102 0.103 0.103
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0045 0.0172 0.0096
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0055 0.0326 0.0156
Trichomonas vaginalis fk506-binding protein, putative 0.0055 0.0326 0.0288
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0045 0.0172 0.0134
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.07 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.1708 0.1708
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.3017 0.299
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0235 0.3017 0.2963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0418 0.5772 0.5755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.3017 0.299
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0055 0.0326 0.0156
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.07 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0132 0.1481 0.1332
Leishmania major peptidylprolyl isomerase-like protein 0.0055 0.0326 0.0156
Entamoeba histolytica hypothetical protein 0.0132 0.1481 0.1332
Trypanosoma cruzi cytochrome P450, putative 0.0075 0.0625 0.0461
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0045 0.0172 0.0061
Loa Loa (eye worm) hypothetical protein 0.0087 0.0803 0.0803
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0045 0.0172 0.0061
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.013 0.0018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0398 0.0398
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0147 0.1708 0.2153
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0557 0.7859 0.7822
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.07 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0377 0.5158 0.514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0172 0.0134
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0045 0.0172 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0418 0.5772 0.5755
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0172 0.0096
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0045 0.0172 0.0061
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0055 0.0326 0.0216
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0045 0.0172 0.0096
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0055 0.0326 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0235 0.3017 0.2938
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Loa Loa (eye worm) hypothetical protein 0.0132 0.1481 0.1481
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0172 0.0096
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0172 0.0172
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0055 0.0326 0.0251
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.07 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0045 0.0172 0.0061
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0045 0.0172 0.0061
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0172 0.0134
Trypanosoma cruzi target of rapamycin kinase 3 0.0557 0.7859 0.7822
Brugia malayi FAT domain containing protein 0.0102 0.103 0.0961
Toxoplasma gondii FATC domain-containing protein 0.0132 0.1481 0.1835
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0045 0.0172 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.6541 0.6528
Schistosoma mansoni hypothetical protein 0.0102 0.103 0.0929
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0045 0.0172 0.0134
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.07 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0147 0.1708 0.1676
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.1481 0.1448
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0045 0.0172 0.0096
Trypanosoma cruzi cytochrome P450, putative 0.0075 0.0625 0.0461
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0172 0.0096
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0055 0.0326 0.0251
Mycobacterium leprae conserved hypothetical protein 0.0045 0.0172 0.5
Schistosoma mansoni immunophilin 0.0055 0.0326 0.0216
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0045 0.0172 0.0134
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.07 1 1
Giardia lamblia GTOR 0.07 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0235 0.3017 0.2895
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0172 0.0096
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0235 0.3017 0.2895
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0132 0.1481 0.1385
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0045 0.0172 0.0134
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0045 0.0172 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.1481 0.1448
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0045 0.0172 0.0096
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0045 0.0172 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0377 0.5158 0.514
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.07 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.785 0.7842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0378 0.5167 0.5148
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0045 0.0172 0.0134
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0045 0.0172 0.0096
Trypanosoma brucei cytochrome P450, putative 0.0075 0.0625 0.0461
Echinococcus multilocularis serine protein kinase ATM 0.0132 0.1481 0.1415
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0112 0.0036
Brugia malayi Cytochrome P450 family protein 0.0075 0.0625 0.0552
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0055 0.0326 0.0251
Schistosoma mansoni hypothetical protein 0.0045 0.0172 0.0061
Trichomonas vaginalis immunophilin, putative 0.0055 0.0326 0.0288
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0132 0.1481 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.7308 0.7297
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0045 0.0172 0.0096
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0055 0.0326 0.0156
Loa Loa (eye worm) CYP4Cod1 0.0075 0.0625 0.0625
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0087 0.0803 0.0642
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0055 0.0326 1
Onchocerca volvulus 0.0045 0.0172 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.07 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0235 0.3017 0.2895
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0172 0.0172
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0055 0.0326 0.0326
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0172 0.0096
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0291 0.3858 0.375
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0048 0.0211 0.0135
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0102 0.103 0.0961
Loa Loa (eye worm) phosphatidylinositol 3 0.0235 0.3017 0.3017
Schistosoma mansoni fkbp-rapamycin associated protein 0.0132 0.1481 0.1385
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0055 0.0326 0.0156
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0045 0.0172 0.0096
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0172 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.07 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 44.6684 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 63.0957 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) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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