Detailed information for compound 1459381

Basic information

Technical information
  • TDR Targets ID: 1459381
  • Name: N-(3-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-yl methyl)quinazolin-2-yl]sulfanylacetamide
  • MW: 437.535 | Formula: C22H19N3O3S2
  • H donors: 1 H acceptors: 2 LogP: 3.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccs1
  • InChi: 1S/C22H19N3O3S2/c1-28-16-7-4-6-15(12-16)23-20(26)14-30-22-24-19-10-3-2-9-18(19)21(27)25(22)13-17-8-5-11-29-17/h2-12H,13-14H2,1H3,(H,23,26)
  • InChiKey: VCRPSZGXVPHCAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxyphenyl)-2-[4-oxo-3-(2-thienylmethyl)quinazolin-2-yl]sulfanyl-acetamide
  • N-(3-methoxyphenyl)-2-[[4-oxo-3-(2-thienylmethyl)-2-quinazolinyl]thio]acetamide
  • 2-[[4-keto-3-(2-thienylmethyl)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide
  • N-(3-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide
  • Oprea1_716682
  • MLS000583550
  • N-(3-methoxyphenyl)-2-{[4-oxo-3-(thien-2-ylmethyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
  • SMR000206736
  • EU-0061219

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus 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
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum Lamin-C, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni lamin 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
Echinococcus granulosus 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 multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin-conjugating enzyme E2, putative _UBC13, UbcH-ben, UbcH13 152 aa 153 aa 32.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0064 0.0147
Onchocerca volvulus 0.0033 0.0248 0.0971
Echinococcus granulosus vesicular acetylcholine transporter 0.0222 0.2553 0.2553
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0412 0.0948
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0222 0.2553 0.5868
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.0412 0.0948
Trypanosoma brucei C-8 sterol isomerase, putative 0.0369 0.4351 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.0412 0.0412
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0064 0.0147
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.0412 0.5
Echinococcus granulosus lamin 0.0033 0.0248 0.0248
Brugia malayi intermediate filament protein 0.0033 0.0248 0.057
Schistosoma mansoni vesicular acetylcholine transporter 0.0222 0.2553 0.2553
Echinococcus multilocularis vesicular acetylcholine transporter 0.0222 0.2553 0.2553
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2343 0.9178
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.038 0.038
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2478 0.638
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3649 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0248 0.0248
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3649 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965
Brugia malayi hypothetical protein 0.0043 0.038 0.0874
Echinococcus granulosus intermediate filament protein 0.0033 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0369 0.4351 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.038 0.038
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965
Echinococcus multilocularis lamin dm0 0.0033 0.0248 0.0248
Onchocerca volvulus 0.0033 0.0248 0.0971
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3649 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0248 0.057
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0043 0.0043
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0412 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0248 0.057
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.0412 0.0412
Brugia malayi MH2 domain containing protein 0.0144 0.1607 0.3693
Loa Loa (eye worm) hypothetical protein 0.0032 0.0241 0.0553
Echinococcus multilocularis musashi 0.0033 0.0248 0.0248
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0369 0.4351 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0222 0.2553 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1607 0.3693
Loa Loa (eye worm) hypothetical protein 0.0016 0.0043 0.0098
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3649 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.3649 0.8387
Schistosoma mansoni hypothetical protein 0.0043 0.038 0.038
Schistosoma mansoni lamin 0.0033 0.0248 0.0248
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0369 0.4351 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.0412 0.0412
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0248 0.057
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0043 0.0043
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.038 0.038
Brugia malayi vesicular acetylcholine transporter unc-17 0.0222 0.2553 0.5868
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.0412 0.0948
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3649 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.2151 0.4944
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0082
Leishmania major C-8 sterol isomerase-like protein 0.0369 0.4351 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis lamin 0.0033 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0082
Echinococcus granulosus lamin dm0 0.0033 0.0248 0.0248
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0248 0.057
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.3649 0.8387
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3649 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.0412 0.0948
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.0412 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.0412 0.5
Schistosoma mansoni lamin 0.0033 0.0248 0.0248
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1607 0.3693
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2478 0.638
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2343 0.5965

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 19.256 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155] ChEMBL. No reference
Potency (functional) 2.8184 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) 2.9362 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) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 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) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease: Purified N370S Glucocerebrosidase Cleavage of Glucosylceramide. (Class of assay: confirmatory) [Related pubchem assays: 2101 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease: Primary Screen Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 2101 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays: 2613, 2592, 2593, 2589, 2596, 2588, 2587, 2597, 2578, 2595, 2577, 2590, 2101 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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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