Detailed information for compound 1444918

Basic information

Technical information
  • TDR Targets ID: 1444918
  • Name: 6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfany l)pyridine-3-carbonitrile
  • MW: 269.365 | Formula: C15H15N3S
  • H donors: 0 H acceptors: 3 LogP: 3.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(C)c(nc1SCc1cccnc1)CC
  • InChi: 1S/C15H15N3S/c1-3-14-11(2)7-13(8-16)15(18-14)19-10-12-5-4-6-17-9-12/h4-7,9H,3,10H2,1-2H3
  • InChiKey: MXITZBMKGRJDFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-ethyl-5-methyl-2-(3-pyridylmethylsulfanyl)pyridine-3-carbonitrile
  • 6-ethyl-5-methyl-2-(3-pyridylmethylthio)-3-pyridinecarbonitrile
  • 6-ethyl-5-methyl-2-(3-pyridylmethylthio)nicotinonitrile
  • AM-807/25099010
  • SS-0721
  • MLS000037258
  • ZINC02585636
  • SMR000036681

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica fructose-1,6-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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0446 0.0896
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0531 0.1069
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0081 0.0164
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0307 0.0618
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0531 0.0531
Brugia malayi hypothetical protein 0.0035 0.0201 0.0405
Onchocerca volvulus 0.0043 0.0301 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0081 0.0164
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0147 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0424 0.497 0.497
Loa Loa (eye worm) RNA binding protein 0.0062 0.0531 0.1069
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0424 0.497 0.497
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0531 0.0531
Brugia malayi hypothetical protein 0.0197 0.2187 0.4401
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0053 0.0053
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0053 0.0053
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0053 0.0053
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0424 0.497 1
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0081 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0053 0.0106
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0081 0.1335
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0301 0.0606
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0053 0.0106
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0053 0.0106
Plasmodium falciparum flap endonuclease 1 0.0026 0.0081 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0053 0.0053
Entamoeba histolytica hypothetical protein 0.0035 0.0201 0.0405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0446 0.0446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0053 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0053 0.0106
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1884 1
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0081 0.0164
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0301 0.1598
Schistosoma mansoni hypothetical protein 0.0166 0.1811 0.1811
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0053 0.0106
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0053 0.0053
Schistosoma mansoni coup transcription factor 0.0023 0.0053 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0446 0.0446
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0531 0.0531
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0081 1
Schistosoma mansoni hypothetical protein 0.0035 0.0201 0.0201
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0053 0.0106
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0424 0.497 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Brugia malayi PAS domain containing protein 0.0059 0.0489 0.0983
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Brugia malayi nuclear receptor NHR-88 0.0023 0.0053 0.0106
Leishmania major DNA polymerase eta, putative 0.0031 0.0147 0.0295
Brugia malayi TAR-binding protein 0.0062 0.0531 0.1069
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0446 0.0446
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0053 0.0106
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0081 0.0081
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4101 0.8251
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0053 0.0106
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0053 0.0106
Schistosoma mansoni DNA polymerase eta 0.0044 0.0307 0.0307
Brugia malayi RNA binding protein 0.0062 0.0531 0.1069
Entamoeba histolytica hypothetical protein 0.0035 0.0201 0.0405
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0081 0.0198
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0053 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Schistosoma mansoni retinoic acid receptor RXR 0.0326 0.3767 0.3767
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0053 0.0053
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0053 0.0053
Echinococcus granulosus tar DNA binding protein 0.0062 0.0531 0.0531
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0531 0.1069
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0053 0.0053
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0053 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0053 0.0106
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4101 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0071 0.0143
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0201 0.0201
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0424 0.497 1
Echinococcus granulosus single minded 2 0.0043 0.0301 0.0301
Leishmania major DNA polymerase eta, putative 0.0044 0.0307 0.0618
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0446 0.0896
Echinococcus granulosus geminin 0.0166 0.1811 0.1811
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0313 0.3616 0.3616
Brugia malayi Flap endonuclease-1 0.0026 0.0081 0.0164
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0147 0.0295
Loa Loa (eye worm) hypothetical protein 0.0044 0.0307 0.0618
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0053 0.0106
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1884 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Brugia malayi nuclear hormone receptor 0.0023 0.0053 0.0106
Schistosoma mansoni flap endonuclease-1 0.0023 0.0051 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0053 0.0106
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0053 0.0106
Echinococcus multilocularis dna polymerase eta 0.0044 0.0307 0.0307
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0446 0.0446
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0446 0.0446
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0053 0.0106
Brugia malayi steroid hormone receptor 0.0023 0.0053 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0053 0.0106
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4101 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.1811 0.1811
Loa Loa (eye worm) hypothetical protein 0.0197 0.2187 0.4401
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0053 0.0053
Brugia malayi ecdysteroid receptor 0.0023 0.0053 0.0106
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0071 0.0143
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0053 0.0106
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0053 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0053 0.0106
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0053 0.0053
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0531 0.0531
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0071 0.0143
Echinococcus multilocularis geminin 0.0166 0.1811 0.1811
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4101 0.8251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0053 0.0106
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0053 0.0053
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0424 0.497 0.497
Echinococcus multilocularis transcription factor Dp 1 0.0245 0.2779 0.2779
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0301 0.0301
Brugia malayi hypothetical protein 0.0025 0.0071 0.0143
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0053 0.0053
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0326 0.3767 0.3767
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0053 0.0053
Schistosoma mansoni single-minded 0.0059 0.0489 0.0489
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0531 0.1069
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0053 0.0053
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0307 0.0618
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0424 0.497 1
Entamoeba histolytica hypothetical protein 0.0035 0.0201 0.0405
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0053 0.0106
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0053 0.0053
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0081 0.0198
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0053 0.0053
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0081 0.0164
Brugia malayi hypoxia-induced factor 1 0.0182 0.2 0.4023
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0053 0.0106
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0053 0.0106
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0025 0.0071 0.0143
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.2 0.4023
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0424 0.497 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0531 0.0531
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0053 0.0053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0053 0.0106
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1884 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0424 0.497 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0053 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0053 0.0106
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0053 0.0053
Echinococcus granulosus transcription factor Dp 1 0.0245 0.2779 0.2779
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0201 0.0201
Entamoeba histolytica hypothetical protein 0.0035 0.0201 0.0405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0446 0.0446
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0053 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0053 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0531 0.0531
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0424 0.497 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0106
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0053 0.0053
Echinococcus granulosus dna polymerase eta 0.0044 0.0307 0.0307
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0053 0.0053
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0053 0.0053
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0307 0.0618
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0489 0.0489
Leishmania major hypothetical protein, conserved 0.0025 0.0071 0.0143
Echinococcus granulosus flap endonuclease 1 0.0026 0.0081 0.0081

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.0708 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.9285 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) 8.2753 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 Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) = 17.7407 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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