Detailed information for compound 1432500

Basic information

Technical information
  • TDR Targets ID: 1432500
  • Name: ethyl 2-[[2-[(5-furan-2-yl-1H-1,2,4-triazol-3 -yl)sulfanyl]acetyl]amino]-4,5-dimethylthioph ene-3-carboxylate
  • MW: 406.479 | Formula: C17H18N4O4S2
  • H donors: 2 H acceptors: 4 LogP: 4.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(NC(=O)CSc2n[nH]c(n2)c2ccco2)sc(c1C)C
  • InChi: 1S/C17H18N4O4S2/c1-4-24-16(23)13-9(2)10(3)27-15(13)18-12(22)8-26-17-19-14(20-21-17)11-6-5-7-25-11/h5-7H,4,8H2,1-3H3,(H,18,22)(H,19,20,21)
  • InChiKey: LTTJVSIBFUEAIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
  • 2-[[2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
  • 2-[[2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-[2-[(5-furan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate
  • MLS000050511
  • SMR000076444
  • ZINC02851243
  • ethyl 2-[({[5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi amidase, putative 0.0155 0.0889 0.1218
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0056 0.009 0.0124
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6377 0.6377
Leishmania major hypothetical protein, conserved 0.0056 0.009 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Entamoeba histolytica hypothetical protein 0.0056 0.009 0.0124
Toxoplasma gondii hypothetical protein 0.0056 0.009 0.5
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0155 0.0889 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0.009 0.0124
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0.009 0.0124
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0056 0.009 0.5
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0056 0.009 0.009
Brugia malayi MGC83647 protein 0.0056 0.009 0.009
Entamoeba histolytica hypothetical protein 0.0056 0.009 0.0124
Plasmodium falciparum esterase, putative 0.0947 0.7296 1
Plasmodium falciparum lysophospholipase, putative 0.0947 0.7296 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Toxoplasma gondii hypothetical protein 0.0056 0.009 0.5
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0056 0.009 0.0124
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0947 0.7296 1
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0056 0.009 0.009
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0056 0.009 0.0124
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0056 0.009 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0947 0.7296 1
Toxoplasma gondii hypothetical protein 0.0056 0.009 0.5
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0056 0.009 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0947 0.7296 1
Leishmania major hypothetical protein, conserved 0.0155 0.0889 0.1218
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0155 0.0889 0.1108
Loa Loa (eye worm) hypothetical protein 0.0056 0.009 0.009
Mycobacterium ulcerans amidase 0.0155 0.0889 0.1108
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0947 0.7296 1
Trypanosoma cruzi amidase, putative 0.0155 0.0889 0.1218
Loa Loa (eye worm) amidase 0.0155 0.0889 0.0889
Schistosoma mansoni peptidase 0.0056 0.009 0.009
Plasmodium falciparum lysophospholipase, putative 0.0947 0.7296 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0056 0.009 0.0124
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0.009 0.0124
Mycobacterium ulcerans amidase 0.0155 0.0889 0.1108
Echinococcus granulosus fatty acid amide hydrolase 1 0.0155 0.0889 0.0889
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0155 0.0889 0.1108
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0947 0.7296 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0056 0.009 0.0124
Mycobacterium tuberculosis Possible lysophospholipase 0.0947 0.7296 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0155 0.0889 0.1218
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0155 0.0889 0.1108
Loa Loa (eye worm) hypothetical protein 0.0056 0.009 0.009
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0056 0.009 0.0124
Brugia malayi putative amidase 0.0155 0.0889 0.0889
Toxoplasma gondii phospholipase/carboxylesterase 0.0056 0.009 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0947 0.7296 1
Brugia malayi Protein C20orf22 0.0056 0.009 0.009
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0056 0.009 0.0124
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0947 0.7296 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0155 0.0889 0.5
Schistosoma mansoni amidase 0.1281 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Mycobacterium ulcerans amidase 0.0155 0.0889 0.1108
Loa Loa (eye worm) hypothetical protein 0.0056 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0056 0.009 0.009
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0056 0.009 0.0124
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0155 0.0889 0.0889
Mycobacterium ulcerans lysophospholipase 0.0947 0.7296 1
Echinococcus granulosus Phospholipase carboxylesterase 0.0056 0.009 0.009
Leishmania major monoglyceride lipase, putative 0.0947 0.7296 1
Mycobacterium ulcerans hypothetical protein 0.0947 0.7296 1
Trypanosoma brucei monoglyceride lipase, putative 0.0947 0.7296 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0056 0.009 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0947 0.7296 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Echinococcus multilocularis Phospholipase carboxylesterase 0.0056 0.009 0.009
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0.009 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0947 0.7296 1
Entamoeba histolytica ;Alias 0.0056 0.009 0.0124
Brugia malayi Amidase family protein 0.0155 0.0889 0.0889
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0155 0.0889 0.1108
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0056 0.009 0.0124
Trypanosoma brucei monoglyceride lipase, putative 0.0947 0.7296 1
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0056 0.009 0.0124
Plasmodium vivax PST-A protein 0.0947 0.7296 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0155 0.0889 0.1108
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0056 0.009 0.0124
Toxoplasma gondii peptidase S15, putative 0.0056 0.009 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1281 1 1
Loa Loa (eye worm) amidase 0.0155 0.0889 0.0889
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0155 0.0889 0.0889
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0155 0.0889 0.1108
Mycobacterium ulcerans amidase 0.0155 0.0889 0.1108
Brugia malayi MGC79044 protein 0.0056 0.009 0.009
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0155 0.0889 0.1108
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0056 0.009 0.009
Schistosoma mansoni fatty-acid amide hydrolase 0.1281 1 1
Trypanosoma cruzi serine peptidase, putative 0.0056 0.009 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Echinococcus granulosus fatty acid amide hydrolase 1 0.1281 1 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0155 0.0889 0.0889
Toxoplasma gondii hypothetical protein 0.0056 0.009 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0947 0.7296 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0155 0.0889 0.1108
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1281 1 1
Toxoplasma gondii protein c14orf29, putative 0.0056 0.009 0.5
Trypanosoma cruzi serine peptidase, putative 0.0056 0.009 0.0124
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0056 0.009 0.0124
Toxoplasma gondii phospholipase 0.0056 0.009 0.5
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0056 0.009 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0947 0.7296 1
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0056 0.009 0.009
Echinococcus granulosus abhydrolase domain containing 3 0.0056 0.009 0.009
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.009 0.0124
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0155 0.0889 0.0889
Mycobacterium ulcerans amidase 0.0155 0.0889 0.1108
Echinococcus granulosus fatty acid amide hydrolase 1 0.1281 1 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0056 0.009 0.0124
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0056 0.009 0.0124
Loa Loa (eye worm) hypothetical protein 0.0056 0.009 0.009
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0947 0.7296 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6377 0.6377
Brugia malayi Amidase family protein 0.0155 0.0889 0.0889
Echinococcus multilocularis abhydrolase domain containing 3 0.0056 0.009 0.009
Plasmodium falciparum lysophospholipase, putative 0.0947 0.7296 1
Leishmania major hypothetical protein, conserved 0.0056 0.009 0.0124
Loa Loa (eye worm) hypothetical protein 0.1281 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6377 0.6377
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0155 0.0889 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0155 0.0889 0.0889
Mycobacterium ulcerans peptide amidase, GatA 0.0155 0.0889 0.1108
Echinococcus granulosus abhydrolase domain containing protein 13 0.0056 0.009 0.009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 15.8489 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) 18.3489 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 50.1187 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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