Detailed information for compound 1391996

Basic information

Technical information
  • TDR Targets ID: 1391996
  • Name: ethyl 2-[[2-([1,2,4]triazolo[4,5-a]pyridin-3- ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclo penta[d]thiophene-3-carboxylate
  • MW: 402.491 | Formula: C18H18N4O3S2
  • H donors: 1 H acceptors: 4 LogP: 4.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(NC(=O)CSc2nnc3n2cccc3)sc2c1CCC2
  • InChi: 1S/C18H18N4O3S2/c1-2-25-17(24)15-11-6-5-7-12(11)27-16(15)19-14(23)10-26-18-21-20-13-8-3-4-9-22(13)18/h3-4,8-9H,2,5-7,10H2,1H3,(H,19,23)
  • InChiKey: WFBLZSCTYPLRQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[1-oxo-2-([1,2,4]triazolo[4,5-a]pyridin-3-ylthio)ethyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid ethyl ester
  • 2-[[2-([1,2,4]triazolo[4,5-a]pyridin-3-ylthio)acetyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-[2-([1,2,4]triazolo[4,5-a]pyridin-3-ylsulfanyl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylate
  • Oprea1_266796
  • MLS000391952
  • SMR000260985
  • ZINC03190175

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0036 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0011 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.8513 0.8513
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0486 0.0486
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0486 0.0486
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0486 0.0486
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0486 0.0486
Loa Loa (eye worm) ABC transporter 0.0011 0.0156 0.0156
Brugia malayi steroid hormone receptor 0.0012 0.0486 0.0486
Echinococcus granulosus lamin dm0 0.0033 0.8513 0.8513
Brugia malayi ABC transporter transmembrane region family protein 0.0011 0.0156 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0486 0.0486
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0486 0.0486
Brugia malayi ABC transporter family protein 0.0011 0.0156 0.0156
Echinococcus multilocularis multidrug resistance protein 1 0.0036 1 1
Schistosoma mansoni multidrug resistance protein 0.0011 0.0156 0.0156
Trypanosoma brucei multidrug resistance protein E 0.0011 0.0156 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0036 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0486 0.0486
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0486 0.0486
Onchocerca volvulus 0.0033 0.8513 0.8437
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.2552 0.2552
Schistosoma mansoni multidrug resistance protein 0.0011 0.0156 0.0156
Trichomonas vaginalis abcb9, putative 0.0036 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0486 0.0486
Brugia malayi nuclear receptor NHR-88 0.0012 0.0486 0.0486
Entamoeba histolytica P-glycoprotein-2 0.0036 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.8513 0.8513
Loa Loa (eye worm) hypothetical protein 0.0036 0.9844 0.9844
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0036 1 1
Brugia malayi P-glycoprotein-like protein 0.0011 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0032 0.8278 0.8278
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.187 0.1741
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Brugia malayi ABC transporter family protein 0.0011 0.0156 0.0156
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.8513 0.8513
Echinococcus granulosus intermediate filament protein 0.0033 0.8513 0.8513
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.187 0.187
Schistosoma mansoni multidrug resistance protein 0.0036 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0011 0.0156 0.5
Plasmodium falciparum multidrug resistance protein 1 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0156 0.0156
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0486 0.0335
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0011 0.0156 0.5
Echinococcus granulosus ATP binding cassette sub family B 0.0011 0.0156 0.0156
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0036 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0025 0.5674 0.5674
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0036 1 1
Brugia malayi nuclear hormone receptor 0.0012 0.0486 0.0486
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0486 0.0486
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0486 0.0486
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0486 0.0486
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0036 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0011 0.0156 0.5
Schistosoma mansoni multidrug resistance protein 0.0011 0.0156 0.0156
Brugia malayi ABC transporter 0.0011 0.0156 0.0156
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0036 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0156 0.0156
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0486 0.0486
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0036 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0036 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0486 0.0335
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0011 0.0156 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.8513 0.8513
Loa Loa (eye worm) hypothetical protein 0.0036 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.0036 1 1
Schistosoma mansoni multidrug resistance protein 0.0011 0.0156 0.0156
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0036 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0486 0.0486
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 1 1
Schistosoma mansoni multidrug resistance protein 0.0011 0.0156 0.0156
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0486 0.0486
Echinococcus multilocularis lamin dm0 0.0033 0.8513 0.8489
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0486 0.0486
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0486 0.0486
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0486 0.0486
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0036 1 1
Entamoeba histolytica hypothetical protein 0.0011 0.0156 0.0156
Echinococcus multilocularis multidrug resistance protein 1 0.0025 0.5674 0.5606
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0486 0.0486
Onchocerca volvulus 0.0036 1 1
Brugia malayi ABC transporter family protein 0.0011 0.0156 0.0156
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0011 0.0156 0.0156
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0036 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0025 0.5674 0.5674
Onchocerca volvulus 0.0033 0.8513 0.8437
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0011 0.0156 0.0156
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0486 0.0486
Echinococcus granulosus multidrug resistance protein 1 0.0036 1 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0011 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.1635 0.1635
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 1 1
Schistosoma mansoni coup transcription factor 0.0012 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0036 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0486 0.0335
Entamoeba histolytica P-glycoprotein 6, putative 0.0011 0.0156 0.0156
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0011 0.0156 0.5
Echinococcus granulosus multidrug resistance associated protein 7 0.0011 0.0156 0.0156
Giardia lamblia ABC transporter, putative 0.0011 0.0156 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0036 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0486 0.0486
Brugia malayi multidrug resistance related protein 1 0.0011 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Entamoeba histolytica P-glycoprotein-1 0.0036 1 1
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0011 0.0156 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0486 0.0486
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0486 0.0486
Entamoeba histolytica P-glycoprotein 5, putative 0.0036 1 1
Trichomonas vaginalis abcb9, putative 0.0036 1 1
Trichomonas vaginalis taga, putative 0.0036 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0011 0.0156 0.0156
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0486 0.0335
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0486 0.0486
Trichomonas vaginalis ABC transporter, putative 0.0036 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0486 0.0486
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0486 0.0486
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0011 0.0156 0.5
Echinococcus granulosus multidrug resistance associated protein 1 0.0011 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0036 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0486 0.0486
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0486 0.0486
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0011 0.0156 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Brugia malayi ecdysteroid receptor 0.0012 0.0486 0.0486
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0011 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.1635 0.1635
Trypanosoma brucei p-glycoprotein 0.0011 0.0156 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0036 1 1
Schistosoma mansoni lamin 0.0033 0.8513 0.8513
Loa Loa (eye worm) multidrug resistance protein 3 0.0036 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0011 0.0156 0.0156
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0011 0.0156 0.0156
Schistosoma mansoni smdr2 0.0036 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Giardia lamblia Multidrug resistance-associated protein 1 0.0011 0.0156 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0486 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0486 0.0486
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0011 0.0156 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0486 0.0486
Echinococcus granulosus multidrug resistance protein 1 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0486 0.0486
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0486 0.0486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0486 0.0486
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0036 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0486 0.0486
Echinococcus granulosus lamin 0.0033 0.8513 0.8513
Trichomonas vaginalis abcb9, putative 0.0036 1 1
Echinococcus multilocularis lamin 0.0033 0.8513 0.8489
Echinococcus multilocularis musashi 0.0033 0.8513 0.8489
Loa Loa (eye worm) hypothetical protein 0.0011 0.0156 0.0156
Echinococcus granulosus multidrug resistance protein 1 0.0036 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0036 1 1
Entamoeba histolytica P-glycoprotein-2 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Schistosoma mansoni smdr1 0.0011 0.0156 0.0156
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0486 0.0486
Schistosoma mansoni multidrug resistance protein 0.0036 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0011 0.0156 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0486 0.0486
Brugia malayi ABC transporter transmembrane region family protein 0.0011 0.0156 0.0156
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0011 0.0156 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0036 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0486 0.0335
Trypanosoma cruzi multidrug resistance protein E, putative 0.0011 0.0156 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0486 0.0486
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0011 0.0156 0.5
Brugia malayi ABC transporter family protein 0.0036 1 1
Leishmania major p-glycoprotein 0.0036 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0486 0.0486
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.2552 0.2552
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0486 0.0486
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0011 0.0156 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0011 0.0156 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0011 0.0156 0.5
Trichomonas vaginalis ABC transporter, putative 0.0036 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0156 0.0156
Schistosoma mansoni multidrug resistance protein 0.0036 1 1
Entamoeba histolytica ABC transporter, putative 0.0011 0.0156 0.0156
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0486 0.0335
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0011 0.0156 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.8513 0.8513
Schistosoma mansoni lamin 0.0033 0.8513 0.8513
Trichomonas vaginalis ABC transporter, putative 0.0036 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0011 0.0156 0.0156
Echinococcus multilocularis ATP binding cassette sub family B 0.0036 0.9844 0.9841
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0036 1 1
Loa Loa (eye worm) ABC transporter 0.0011 0.0156 0.0156
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0486 0.0486
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0011 0.0156 0.0156
Giardia lamblia MRP-like ABC transporter 0.0011 0.0156 1
Brugia malayi intermediate filament protein 0.0033 0.8513 0.8513
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0486 0.0486
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0486 0.0486
Plasmodium vivax multidrug resistance protein 1, putative 0.0036 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0036 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0486 0.0335
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0036 0.9844 0.9844
Brugia malayi hypothetical protein 0.0011 0.0156 0.0156
Trichomonas vaginalis ABC transporter, putative 0.0036 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0011 0.0156 1
Entamoeba histolytica P-glycoprotein-5 0.0036 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0011 0.0156 0.0156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0486 0.0486
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0486 0.0335
Loa Loa (eye worm) ABC transporter 0.0011 0.0156 0.0156
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0486 0.0486
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0486 0.0486
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0025 0.5674 0.5674
Loa Loa (eye worm) hypothetical protein 0.0016 0.187 0.187

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 50.1187 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) 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) 89.1251 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.
 
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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