Detailed information for compound 1402867

Basic information

Technical information
  • TDR Targets ID: 1402867
  • Name: N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin- 3-yl)methyl]morpholine-4-carboxamide
  • MW: 371.43 | Formula: C20H25N3O4
  • H donors: 1 H acceptors: 3 LogP: 1.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)cc(c(n2)O)CN(C(=O)N1CCOCC1)C1CC1
  • InChi: 1S/C20H25N3O4/c1-2-27-17-5-6-18-14(12-17)11-15(19(24)21-18)13-23(16-3-4-16)20(25)22-7-9-26-10-8-22/h5-6,11-12,16H,2-4,7-10,13H2,1H3,(H,21,24)
  • InChiKey: JYGKZNXKSAJGJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-morpholinecarboxamide
  • N-cyclopropyl-N-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
  • ASN 05989236
  • Oprea1_408883
  • MLS000073204
  • Morpholine-4-carboxylic acid cyclopropyl-(6-ethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
  • SMR000006003
  • ZINC04861304

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum flap endonuclease 1 0.0029 0.0047 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1383 0.8724 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0113 0.0588 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0113 0.0588 0.0674
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0186 0.0186
Echinococcus multilocularis nuclear receptor nhr 48 0.0053 0.0206 0.0214
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0047 0.0054
Onchocerca volvulus 0.0113 0.0588 1
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.0179 0.0205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0113 0.0588 0.0674
Echinococcus granulosus geminin 0.035 0.2104 0.2104
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0053 0.0206 0.0214
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0186 0.0213
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0308 0.0353
Brugia malayi hypothetical protein 0.0053 0.0206 0.0236
Loa Loa (eye worm) hypothetical protein 0.0049 0.0179 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0113 0.0588 0.0674
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0113 0.0588 0.0588
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1383 0.8724 0.8724
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0047 0.0054
Echinococcus granulosus Nuclear hormone receptor HR96 0.0053 0.0206 0.0206
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0113 0.0588 0.0588
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0113 0.0588 0.0588
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0179 0.0205
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0113 0.0588 0.0588
Brugia malayi orphan nuclear receptor NR2E1 0.0053 0.0206 0.0236
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0186 0.0186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0186 0.0186
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0206 0.0206
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.031 0.0355
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0319 0.0332
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0308 0.0308
Brugia malayi Steroid receptor seven-up type 2 0.0113 0.0588 0.0674
Loa Loa (eye worm) hypothetical protein 0.006 0.0247 0.0283
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.006 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Brugia malayi nuclear receptor RXR 0.006 0.0247 0.0283
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Brugia malayi hypothetical protein 0.006 0.0247 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0113 0.0588 0.0674
Brugia malayi nuclear receptor NHR-88 0.0113 0.0588 0.0674
Onchocerca volvulus Bile acid receptor homolog 0.0113 0.0588 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0113 0.0588 0.0674
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0047 0.1335
Schistosoma mansoni RAR-like nuclear receptor 0.0113 0.0588 0.0588
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0113 0.0588 0.0588
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1383 0.8724 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0113 0.0588 0.0588
Echinococcus multilocularis ecdysone induced protein 78C 0.0113 0.0588 0.0611
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.006 0.0247 0.0256
Schistosoma mansoni nuclear receptor 0.0053 0.0206 0.0206
Leishmania major DNA polymerase eta, putative 0.0049 0.0179 0.0205
Echinococcus granulosus transcription factor Dp 1 0.0801 0.4992 0.4992
Schistosoma mansoni tar DNA-binding protein 0.0069 0.031 0.031
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0047 0.0054
Entamoeba histolytica hypothetical protein 0.0039 0.0117 0.0134
Brugia malayi hypothetical protein 0.0053 0.0206 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0113 0.0588 0.0674
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0053 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0113 0.0588 0.0674
Loa Loa (eye worm) hypothetical protein 0.006 0.0247 0.0283
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1383 0.8724 0.907
Echinococcus granulosus nuclear receptor nhr 48 0.0053 0.0206 0.0206
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0319 0.0319
Echinococcus granulosus tar DNA binding protein 0.0069 0.031 0.031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0113 0.0588 0.0674
Brugia malayi nuclear receptor NHR-67 0.0053 0.0206 0.0236
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0053 0.0206 0.0206
Schistosoma mansoni hypothetical protein 0.035 0.2104 0.2104
Brugia malayi nuclear hormone receptor 0.0053 0.0206 0.0236
Schistosoma mansoni nuclear receptor nhr-48 0.0053 0.0206 0.0206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0186 0.0193
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0113 0.0588 0.0611
Schistosoma mansoni thyroid hormone receptor 0.0113 0.0588 0.0588
Brugia malayi tailless protein 0.0053 0.0206 0.0236
Schistosoma mansoni tar DNA-binding protein 0.0069 0.031 0.031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0308 0.0308
Schistosoma mansoni flap endonuclease-1 0.0026 0.003 0.003
Echinococcus granulosus Nuclear hormone receptor HR96 0.0053 0.0206 0.0206
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0113 0.0588 0.0588
Echinococcus granulosus thyroid hormone receptor alpha 0.0053 0.0206 0.0206
Brugia malayi Nuclear hormone receptor-like 1 0.0113 0.0588 0.0674
Brugia malayi Flap endonuclease-1 0.0029 0.0047 0.0054
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0319 0.0319
Entamoeba histolytica hypothetical protein 0.0039 0.0117 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0113 0.0588 0.0674
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0113 0.0588 0.0674
Brugia malayi ecdysteroid receptor 0.0113 0.0588 0.0674
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.006 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Schistosoma mansoni DNA polymerase eta 0.0049 0.0179 0.0179
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0308 0.0353
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0053 0.0206 0.0236
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0206 0.0214
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0308 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0042 0.0048
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0085 1
Echinococcus granulosus FTZ F1 alpha 0.0113 0.0588 0.0588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0186 0.0186
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.0247 0.0247
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0047 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0069 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Loa Loa (eye worm) hypothetical protein 0.006 0.0247 0.0283
Schistosoma mansoni nuclear hormone receptor 0.0113 0.0588 0.0588
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0113 0.0588 0.0588
Brugia malayi Nuclear hormone receptor E75 0.0053 0.0206 0.0236
Loa Loa (eye worm) hypothetical protein 0.0028 0.0042 0.0048
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0113 0.0588 0.0588
Schistosoma mansoni thyroid hormone receptor 0.0113 0.0588 0.0588
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0308 0.032
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.0247 0.0283
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1523 0.9618 1
Echinococcus granulosus dna polymerase eta 0.0049 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0308 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0113 0.0588 0.0611
Schistosoma mansoni tar DNA-binding protein 0.0069 0.031 0.031
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0042 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0186 0.0186
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0278 0.0319
Brugia malayi hypothetical protein 0.006 0.0247 0.0283
Brugia malayi jmjC domain containing protein 0.0071 0.0319 0.0366
Echinococcus multilocularis FTZ F1 alpha 0.0113 0.0588 0.0611
Brugia malayi hypothetical protein 0.0039 0.0117 0.0134
Brugia malayi nuclear hormone receptor family member odr-7 0.0053 0.0206 0.0236
Brugia malayi conserved hypotetical protein 0.0053 0.0206 0.0236
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0047 0.0054
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1383 0.8724 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0117 0.0117
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0113 0.0588 0.0588
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1383 0.8724 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0113 0.0588 0.0674
Schistosoma mansoni hypothetical protein 0.035 0.2104 0.2104
Brugia malayi nuclear hormone receptor family member nhr-6 0.0053 0.0206 0.0236
Entamoeba histolytica hypothetical protein 0.0039 0.0117 0.0134
Echinococcus multilocularis geminin 0.035 0.2104 0.2187
Schistosoma mansoni zinc finger protein 0.0053 0.0206 0.0206
Loa Loa (eye worm) TAR-binding protein 0.0069 0.031 0.0355
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Echinococcus multilocularis thyroid hormone receptor alpha 0.0113 0.0588 0.0611
Loa Loa (eye worm) nuclear hormone receptor 0.0053 0.0206 0.0236
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0113 0.0588 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0186 0.0193
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Schistosoma mansoni hypothetical protein 0.0039 0.0117 0.0117
Leishmania major DNA polymerase eta, putative 0.0035 0.0085 0.0098
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0308 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0113 0.0588 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0117 0.0122
Loa Loa (eye worm) DR-78 0.0053 0.0206 0.0236
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0042 0.0048
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0047 1
Schistosoma mansoni coup transcription factor 0.0113 0.0588 0.0588
Leishmania major hypothetical protein, conserved 0.0028 0.0042 0.0048
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Brugia malayi nuclear receptor RXR 0.0053 0.0206 0.0236
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0053 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0113 0.0588 0.0674
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1383 0.8724 0.8724
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0113 0.0588 0.0588
Loa Loa (eye worm) steroid hormone receptor 0.0113 0.0588 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0113 0.0588 0.0674
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0117 0.0117
Echinococcus multilocularis transcription factor Dp 1 0.0801 0.4992 0.5191
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.0179 0.0205
Brugia malayi Nuclear hormone receptor E75 0.0053 0.0206 0.0236
Loa Loa (eye worm) nuclear receptor NHR-67 0.0053 0.0206 0.0236
Echinococcus granulosus ecdysone induced protein 78C 0.0113 0.0588 0.0588
Brugia malayi photoreceptor-specific nuclear receptor 0.0113 0.0588 0.0674
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.0247 0.0283
Brugia malayi TAR-binding protein 0.0069 0.031 0.0355
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1383 0.8724 1
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0047 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0113 0.0588 0.0611
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1383 0.8724 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0319 0.0319
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0319 0.0332
Brugia malayi hypothetical protein 0.0028 0.0042 0.0048
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0113 0.0588 0.0611
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.031 0.0355
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0113 0.0588 0.0674
Brugia malayi steroid hormone receptor 0.0113 0.0588 0.0674
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0047 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0113 0.0588 0.0611
Brugia malayi nuclear hormone receptor 0.0113 0.0588 0.0674
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0053 0.0206 0.0214
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0186 0.0213
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0206 0.0206
Entamoeba histolytica hypothetical protein 0.0039 0.0117 0.0134
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0113 0.0588 0.0611
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0319 0.0366
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1383 0.8724 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Brugia malayi nuclear receptor NHR-88 0.0053 0.0206 0.0236
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.006 0.0247 0.0283
Schistosoma mansoni steroid hormone receptor ad4bp 0.0113 0.0588 0.0588
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0113 0.0588 0.0674
Brugia malayi jmjC domain containing protein 0.0071 0.0319 0.0366
Brugia malayi ecdysone receptor 0.0053 0.0206 0.0236
Echinococcus multilocularis tar DNA binding protein 0.0069 0.031 0.0322
Schistosoma mansoni nuclear receptor 0.0053 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0053 0.0206 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0113 0.0588 0.0674
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0047 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0069 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.006 0.0247 0.0283
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0206 0.0206
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0085 0.0098
Brugia malayi RNA binding protein 0.0069 0.031 0.0355
Echinococcus multilocularis dna polymerase eta 0.0049 0.0179 0.0186
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Loa Loa (eye worm) hypothetical protein 0.0113 0.0588 0.0674
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0053 0.0206 0.0214
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0113 0.0588 0.0674
Loa Loa (eye worm) RNA binding protein 0.0069 0.031 0.0355
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0319 0.0319
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0113 0.0588 0.0588
Echinococcus granulosus flap endonuclease 1 0.0029 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.006 0.0247 0.0283
Loa Loa (eye worm) hypothetical protein 0.0053 0.0206 0.0236
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0113 0.0588 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0113 0.0588 0.0674

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 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

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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