Detailed information for compound 1321293

Basic information

Technical information
  • TDR Targets ID: 1321293
  • Name: 3-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazo l-4-yl)methylideneamino]-5-phenylthieno[3,2-e ]pyrimidin-4-one
  • MW: 480.584 | Formula: C27H24N6OS
  • H donors: 0 H acceptors: 2 LogP: 5.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1/C=N/n1cnc2c(c1=O)c(cs2)c1ccccc1)N1CCCC1)c1ccccc1
  • InChi: 1S/C27H24N6OS/c1-19-22(26(31-14-8-9-15-31)33(30-19)21-12-6-3-7-13-21)16-29-32-18-28-25-24(27(32)34)23(17-35-25)20-10-4-2-5-11-20/h2-7,10-13,16-18H,8-9,14-15H2,1H3/b29-16+
  • InChiKey: APIWYYKQFNZNBZ-MUFRIFMGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-5-phenyl-thieno[3,2-e]pyrimidin-4-one
  • 3-[(3-methyl-1-phenyl-5-1-pyrrolidinyl-4-pyrazolyl)methyleneamino]-5-phenyl-4-thieno[3,2-e]pyrimidinone
  • 3-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-5-phenyl-thieno[3,2-e]pyrimidin-4-one
  • ZINC03220088
  • MLS000864060
  • T0506-9485
  • NCGC00037394-02
  • MLS000054354
  • SMR000066066

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0043 0.0082 0.0017
Mycobacterium ulcerans carboxylesterase, LipT 0.0231 0.1487 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0231 0.1487 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.022 0.4744
Loa Loa (eye worm) hypothetical protein 0.0094 0.0464 0.0402
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0231 0.1487 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1367 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.0837 0.0777
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 0.1556
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0275 0.0436
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Loa Loa (eye worm) carboxylesterase 0.0231 0.1487 0.1432
Brugia malayi Carboxylesterase family protein 0.0231 0.1487 0.1432
Loa Loa (eye worm) carboxylesterase 0.0231 0.1487 0.1432
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0275 0.0195
Echinococcus multilocularis acetylcholinesterase 0.1367 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0288 0.0225
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0082 0.0017
Echinococcus granulosus carboxylesterase 5A 0.1367 1 1
Brugia malayi hypothetical protein 0.0231 0.1487 0.1432
Trichomonas vaginalis spcc417.12 protein, putative 0.0231 0.1487 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0231 0.1487 0.1417
Echinococcus granulosus para nitrobenzyl esterase 0.0231 0.1487 0.1417
Onchocerca volvulus 0.0231 0.1487 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0207 0.0144
Schistosoma mansoni hypothetical protein 0.0205 0.129 0.1233
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Brugia malayi jmjC domain containing protein 0.0071 0.0288 0.0225
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0231 0.1487 0.1432
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0288 0.0208
Echinococcus granulosus geminin 0.0205 0.129 0.1218
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Brugia malayi Carboxylesterase family protein 0.0231 0.1487 0.1432
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0275 0.0212
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Brugia malayi follicle stimulating hormone receptor 0.0284 0.1887 0.1835
Echinococcus multilocularis carboxylesterase 5A 0.1367 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0275 0.0195
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0288 0.0208
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Schistosoma mansoni BC026374 protein (S09 family) 0.0231 0.1487 0.1432
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0837 0.0777
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0288 0.0225
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0275 0.0212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0288 0.0225
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1367 1 1
Brugia malayi Carboxylesterase family protein 0.0231 0.1487 0.1432
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.022 0.0139
Loa Loa (eye worm) carboxylesterase 0.1367 1 1
Echinococcus multilocularis acetylcholinesterase 0.1367 1 1
Echinococcus multilocularis neuroligin 0.0231 0.1487 0.1417
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.022 0.0139
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0284 0.1887 0.1835
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0231 0.1487 1
Onchocerca volvulus 0.0231 0.1487 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0837 0.0777
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0207 0.0144
Echinococcus granulosus neuroligin 0.0231 0.1487 0.1417
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7095 0.7071
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0288 0.0225
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0231 0.1487 0.1432
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0231 0.1487 0.1432
Schistosoma mansoni gliotactin 0.0231 0.1487 0.1432
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0207 0.0144
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0464 0.0402
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0231 0.1487 1
Onchocerca volvulus 0.0231 0.1487 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0288 0.0208
Brugia malayi Carboxylesterase family protein 0.1367 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0275 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Onchocerca volvulus 0.0231 0.1487 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0464 0.0385
Brugia malayi jmjC domain containing protein 0.0071 0.0288 0.0225
Echinococcus granulosus acetylcholinesterase 0.1367 1 1
Schistosoma mansoni acetylcholinesterase 0.0231 0.1487 0.1432
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0464 1
Brugia malayi Carboxylesterase family protein 0.0231 0.1487 0.1432
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0231 0.1487 0.1417
Loa Loa (eye worm) hypothetical protein 0.006 0.0207 0.0144
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.024 0.0177
Echinococcus multilocularis para nitrobenzyl esterase 0.0231 0.1487 0.1417
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0464 1
Echinococcus granulosus acetylcholinesterase 0.1367 1 1
Brugia malayi Probable ClpP-like protease 0.0094 0.0464 0.0402
Schistosoma mansoni neuroligin 3 (S09 family) 0.0231 0.1487 0.1432
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0464 1
Echinococcus multilocularis geminin 0.0205 0.129 0.1218
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0464 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.1487 0.1432
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 0.1556
Brugia malayi hypothetical protein 0.0043 0.0082 0.0017
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 0.5
Onchocerca volvulus 0.0231 0.1487 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0231 0.1487 0.1417
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0288 0.0208
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.129 0.1233
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0231 0.1487 0.1417
Loa Loa (eye worm) hypothetical protein 0.1367 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0464 0.0385
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0464 0.5
Loa Loa (eye worm) hypothetical protein 0.1367 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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) 4.4536 uM PubChem BioAssay. HTS assay for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: Secondary Concentration-Response Assay for Agonists of the Thyroid Stimulating Hormone Receptor: HTRF Activity Detection. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 4.997 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair: Hit Confirmation with Unstimulated Viability Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 6.5131 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) = 7.9433 um PUBCHEM_BIOASSAY: Secondary Concentration-Response Assay for Agonists of the Thyroid Stimulating Hormone Receptor: HTRF Activity Detection. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.1868 uM PubChem BioAssay. qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1: Hit Confirmation using MMS Stimulated ELG1. (Class of assay: confirmatory) 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) 12.9953 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) 17.7828 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) 17.7828 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 35.4813 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.