Detailed information for compound 849301

Basic information

Technical information
  • TDR Targets ID: 849301
  • Name: 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-[(3-me thoxyphenyl)methyl]piperidine-3-carboxamide
  • MW: 430.477 | Formula: C20H22N4O5S
  • H donors: 1 H acceptors: 5 LogP: 1.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2c1non2
  • InChi: 1S/C20H22N4O5S/c1-28-16-7-2-5-14(11-16)12-21-20(25)15-6-4-10-24(13-15)30(26,27)18-9-3-8-17-19(18)23-29-22-17/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,21,25)
  • InChiKey: RTPBXNWLSULTHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-3-piperidinecarboxamide
  • 1-benzofurazan-4-ylsulfonyl-N-(3-methoxybenzyl)nipecotamide
  • MLS000521749
  • SMR000132157
  • EU-0058312

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.1777 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.062 0.062
Brugia malayi steroid hormone receptor 0.0035 0.062 0.062
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0767 0.0951
Schistosoma mansoni hypothetical protein 0.0073 0.229 0.2839
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.062 0.062
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.062 0.0768
Schistosoma mansoni thyroid hormone receptor 0.0035 0.062 0.0768
Brugia malayi Inositol-1 0.0045 0.103 0.103
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.2185 0.2709
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.062 0.0768
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.1777 0.2203
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.062 0.0768
Echinococcus granulosus jun protein 0.009 0.3033 0.376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.062 0.062
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.2185 0.2185
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0035 0.062 0.0768
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.062 0.062
Brugia malayi ecdysteroid receptor 0.0035 0.062 0.062
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.1777 0.2203
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.062 0.0768
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.2185 0.2185
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.103 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.062 0.0768
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.062 0.062
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.062 0.0768
Brugia malayi hypothetical protein 0.0071 0.2182 0.2182
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.1595 0.1595
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.062 0.0768
Loa Loa (eye worm) inositol-1 0.0045 0.103 0.103
Schistosoma mansoni thyroid hormone receptor 0.0035 0.062 0.0768
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.062 0.284
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.103 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.062 0.062
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.009 0.3033 0.376
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.062 0.062
Schistosoma mansoni jun-related protein 0.0073 0.229 0.2839
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.062 0.062
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.2185 1
Schistosoma mansoni retinoic acid receptor RXR 0.0141 0.5272 0.6536
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.062 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.062 0.062
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.062 0.062
Schistosoma mansoni hypothetical protein 0.0039 0.0767 0.0951
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.062 0.0768
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.062 0.0768
Schistosoma mansoni hypothetical protein 0.0205 0.8066 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.062 0.062
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.103 0.1278
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.062 0.062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.062 0.062
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.1777 0.6466
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Plasmodium falciparum LCCL domain-containing protein 0.0021 0 0.5
Echinococcus granulosus muscleblind protein 0.018 0.7 0.8679
Schistosoma mansoni coup transcription factor 0.0035 0.062 0.0768
Echinococcus multilocularis muscleblind protein 0.018 0.7 0.8679
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Onchocerca volvulus 0.0035 0.062 0.284
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.103 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.062 0.0768
Echinococcus multilocularis muscleblind protein 1 0.018 0.7 0.8679
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.1675 0.2076
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.062 0.0768
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.2185 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0141 0.5272 0.6536
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.062 0.0768
Onchocerca volvulus 0.0071 0.2182 1
Brugia malayi nuclear hormone receptor 0.0035 0.062 0.062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.062 0.0768
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.062 0.062
Echinococcus multilocularis jun protein 0.009 0.3033 0.376
Echinococcus granulosus FTZ F1 alpha 0.0035 0.062 0.0768
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.062 0.0768
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.062 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.062 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0088 0.2924 0.2924
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.062 0.0768
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.1675 0.2076
Echinococcus multilocularis geminin 0.0205 0.8066 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.062 0.062
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.062 0.062
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.2185 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0122 0.4453 0.5521
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.062 0.062
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.062 0.062
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.1777 0.1777
Schistosoma mansoni lipoxygenase 0.0059 0.1675 0.2076
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.2185 0.2709
Brugia malayi nuclear receptor NHR-88 0.0035 0.062 0.062
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.1777 0.2203
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0767 0.0951
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.062 0.0768
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.062 0.0768
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.062 0.0768
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.062 0.0768
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.062 0.0768
Loa Loa (eye worm) hypothetical protein 0.018 0.7 0.7
Schistosoma mansoni hypothetical protein 0.0205 0.8066 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0825 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0767 0.0951
Brugia malayi Muscleblind-like protein 0.018 0.7 0.7
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.009 0.3033 0.376
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.062 0.062
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0873 0.1082
Schistosoma mansoni inositol monophosphatase 0.0045 0.103 0.1278
Loa Loa (eye worm) hypothetical protein 0.0035 0.062 0.062
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.2185 0.2709
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.1777 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.1777 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.103 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.103 0.1278
Loa Loa (eye worm) hypothetical protein 0.018 0.7 0.7
Brugia malayi bZIP transcription factor family protein 0.009 0.3033 0.3033
Echinococcus granulosus geminin 0.0205 0.8066 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.062 0.284
Schistosoma mansoni inositol monophosphatase 0.0045 0.103 0.1278
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.062 0.284
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.103 0.1856
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.062 0.062
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0873 0.1082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.062 0.062
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.062 0.0768
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.103 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.2185 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.2185 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.062 0.062
Brugia malayi hypothetical protein 0.0039 0.0767 0.0767

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (binding) 2.2387 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 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 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 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
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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