Detailed information for compound 1370912

Basic information

Technical information
  • TDR Targets ID: 1370912
  • Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[ 3.2.1]octan-6-yl)ethyl] ester
  • MW: 387.469 | Formula: C22H29NO5
  • H donors: 1 H acceptors: 3 LogP: 3.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)OCC(=O)N2CC3(CC2CC(C3)(C)C)C)ccc1O
  • InChi: 1S/C22H29NO5/c1-21(2)10-16-11-22(3,13-21)14-23(16)19(25)12-28-20(26)8-6-15-5-7-17(24)18(9-15)27-4/h5-9,16,24H,10-14H2,1-4H3/b8-6+
  • InChiKey: XCEBJUDMNQTVSG-SOFGYWHQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] ester
  • 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] ester
  • 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] ester
  • MLS000393273
  • SMR000243697
  • T0512-6783
  • [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0014 0.2142 0.2142
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1706 0.1706
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1706 0.1706
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0039 1 1
Leishmania major ABC-thiol transporter 0.0018 0.3332 0.3332
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.3332 0.3332
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1706 0.1706
Giardia lamblia Multidrug resistance-associated protein 1 0.0018 0.3332 1
Trypanosoma brucei trans-sialidase, putative 0.003 0.7074 0.7074
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1706 0.1706
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1706 0.1706
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0014 0.2212 0.2212
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0039 1 1
Trichomonas vaginalis abcb9, putative 0.0014 0.2212 0.2212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1706 0.1706
Entamoeba histolytica P-glycoprotein-2 0.0014 0.2212 0.2212
Echinococcus granulosus multidrug resistance protein 1 0.0007 0.0268 0.0268
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0039 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0018 0.3332 0.3332
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1706 0.1706
Brugia malayi ABC transporter family protein 0.0014 0.2212 0.2212
Echinococcus granulosus multidrug resistance associated protein 7 0.0018 0.3332 0.3332
Trypanosoma cruzi multidrug resistance protein E, putative 0.0018 0.3332 0.3332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1706 0.1706
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0014 0.2212 0.2212
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1706 0.1706
Trypanosoma cruzi hypothetical protein 0.0011 0.1317 0.1317
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0007 0 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.2212 0.2212
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0014 0.2142 0.2142
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1706 0.1706
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.2212 0.2212
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1706 0.1706
Trichomonas vaginalis ABC transporter, putative 0.0014 0.2212 0.2212
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1706 0.1706
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Entamoeba histolytica P-glycoprotein-5 0.0014 0.2212 0.2212
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0014 0.2212 0.2212
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0018 0.3332 0.3332
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0014 0.2212 0.2212
Echinococcus multilocularis multidrug resistance protein 1 0.0014 0.2212 0.2212
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0039 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0018 0.3332 0.3332
Schistosoma mansoni multidrug resistance protein 0.0018 0.3332 0.3332
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0014 0.2212 0.2212
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1706 0.1706
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.2212 0.2212
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0014 0.2212 0.2212
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.3332 0.3332
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1706 0.1706
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1706 0.1706
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0014 0.2212 0.2212
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0018 0.3332 0.3332
Trichomonas vaginalis ABC transporter, putative 0.0014 0.2212 0.2212
Schistosoma mansoni multidrug resistance protein 0.0014 0.2212 0.2212
Schistosoma mansoni smdr2 0.0014 0.2212 0.2212
Brugia malayi ecdysteroid receptor 0.0012 0.1706 0.1706
Echinococcus granulosus multidrug resistance protein 1 0.0007 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0014 0.2212 0.2212
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0014 0.2212 0.2212
Entamoeba histolytica multidrug resistance protein, putative 0.0018 0.3332 0.3332
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1706 0.1706
Echinococcus multilocularis multidrug resistance associated protein 4 0.0011 0.1317 0.1317
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.2212 0.2212
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0007 0.0268 0.0268
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0007 0 0.5
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0014 0.2212 0.5
Entamoeba histolytica ABC transporter, putative 0.0018 0.3332 0.3332
Trichomonas vaginalis ABC transporter, putative 0.0014 0.2212 0.2212
Plasmodium falciparum multidrug resistance protein 1 0.0014 0.2212 0.2212
Echinococcus granulosus multidrug resistance associated protein 1 0.0018 0.3332 0.3332
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.2212 0.2212
Loa Loa (eye worm) multidrug resistance-associated protein 0.0011 0.1387 0.1387
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1706 0.1706
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1706 0.1706
Loa Loa (eye worm) hypothetical protein 0.0014 0.2212 0.2212
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0007 0 0.5
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0014 0.2212 0.2212
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0039 1 1
Trypanosoma brucei p-glycoprotein 0.0018 0.3332 0.3332
Loa Loa (eye worm) hypothetical protein 0.0017 0.3261 0.3261
Schistosoma mansoni coup transcription factor 0.0012 0.1706 0.1706
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.3332 0.3332
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Entamoeba histolytica hypothetical protein 0.0018 0.3332 0.3332
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Schistosoma mansoni multidrug resistance protein 0.0018 0.3332 0.3332
Echinococcus granulosus multidrug resistance associated protein 4 0.0011 0.1317 0.1317
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1706 0.1706
Entamoeba histolytica P-glycoprotein-2 0.0014 0.2212 0.2212
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7074 0.7074
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7072 0.7072
Echinococcus multilocularis ATP binding cassette sub family B 0.0014 0.2142 0.2142
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Loa Loa (eye worm) multidrug resistance protein 3 0.0014 0.2212 0.2212
Trypanosoma brucei trans-sialidase, putative 0.003 0.7074 0.7074
Trichomonas vaginalis ABC transporter, putative 0.0014 0.2212 0.2212
Schistosoma mansoni multidrug resistance protein 0.0014 0.2212 0.2212
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1706 0.1706
Trypanosoma brucei trans-sialidase, putative 0.003 0.7074 0.7074
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1706 0.1706
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0039 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0014 0.2212 0.2212
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0007 0 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0014 0.2212 0.2212
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.2212 0.2212
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1706 0.1706
Plasmodium vivax multidrug resistance protein 1, putative 0.0014 0.2212 0.2212
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1706 0.1706
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1706 0.1706
Trypanosoma brucei trans-sialidase, putative 0.003 0.7074 0.7074
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0007 0 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.2212 0.2212
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1706 0.1706
Leishmania major p-glycoprotein 0.0014 0.2212 0.2212
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1706 0.1706
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.3332 0.3332
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7072 0.7072
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1706 0.1706
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1706 0.1706
Entamoeba histolytica P-glycoprotein-1 0.0014 0.2212 0.2212
Echinococcus multilocularis multidrug resistance associated protein 1 0.0018 0.3332 0.3332
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0014 0.2212 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Brugia malayi multidrug resistance protein 3 0.0014 0.2212 0.2212
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.2212 0.2212
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1706 0.1706
Trichomonas vaginalis taga, putative 0.0014 0.2212 0.2212
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1706 0.1706
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1706 0.1706
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0018 0.3332 0.3332
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0007 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.7074 0.7074
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0039 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1706 0.1706
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.2212 0.2212
Giardia lamblia MRP-like ABC transporter 0.0018 0.3332 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1706 0.1706
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Trichomonas vaginalis abcb9, putative 0.0014 0.2212 0.2212
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0018 0.3332 0.3332
Echinococcus multilocularis multidrug resistance protein 1 0.0007 0.0268 0.0268
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7072 0.7072
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7074 0.7074
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0018 0.3332 0.3332
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1706 0.1706
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1706 0.1706
Giardia lamblia ABC transporter, putative 0.0018 0.3332 1
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7074 0.7074
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1706 0.1706
Schistosoma mansoni multidrug resistance protein 0.0014 0.2212 0.2212
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.2212 0.2212
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1706 0.1706
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0018 0.3332 0.3332
Entamoeba histolytica P-glyco protein 6, putative 0.0014 0.2212 0.2212
Onchocerca volvulus 0.0014 0.2212 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0039 1 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1706 0.1706
Schistosoma mansoni multidrug resistance protein 0.0018 0.3332 0.3332
Entamoeba histolytica P-glycoprotein 5, putative 0.0014 0.2212 0.2212
Giardia lamblia Multidrug resistance-associated protein 1 0.0018 0.3332 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1706 0.1706
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1706 0.1706
Brugia malayi ABC transporter transmembrane region family protein 0.0018 0.3332 0.3332
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1706 0.1706
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0014 0.2212 0.2212
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1706 0.1706
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0007 0 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0014 0.2212 0.2212
Trypanosoma brucei multidrug resistance protein E 0.0018 0.3332 0.3332
Trypanosoma cruzi trans-sialidase, putative 0.003 0.7072 0.7072
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Schistosoma mansoni multidrug resistance protein 0.0018 0.3332 0.3332
Trichomonas vaginalis abcb9, putative 0.0014 0.2212 0.2212
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0014 0.2212 0.2212
Trypanosoma brucei trans-sialidase 0.003 0.7074 0.7074
Loa Loa (eye worm) hypothetical protein 0.0018 0.3332 0.3332
Trypanosoma brucei trans-sialidase, putative 0.003 0.7074 0.7074
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1706 0.1706
Brugia malayi nuclear hormone receptor 0.0012 0.1706 0.1706
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0018 0.3332 0.3332
Leishmania major p-glycoprotein e 0.0018 0.3332 0.3332
Loa Loa (eye worm) hypothetical protein 0.0018 0.3332 0.3332
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0039 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0018 0.3332 0.3332
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.2212 0.2212
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Leishmania major pentamidine resistance protein 1 0.0018 0.3332 0.3332
Brugia malayi steroid hormone receptor 0.0012 0.1706 0.1706
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0014 0.2212 0.2212
Echinococcus multilocularis multidrug resistance associated protein 7 0.0018 0.3332 0.3332
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1706 0.1706
Loa Loa (eye worm) hypothetical protein 0.0012 0.1706 0.1706
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1706 0.1706
Brugia malayi nuclear receptor NHR-88 0.0012 0.1706 0.1706
Brugia malayi multidrug resistance related protein 1 0.0018 0.3332 0.3332
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1706 0.1706
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1706 0.1706
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.2212 0.2212

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 49.57 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 23.1093 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 (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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 (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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