Detailed information for compound 1343306

Basic information

Technical information
  • TDR Targets ID: 1343306
  • Name: 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
  • MW: 205.213 | Formula: C10H11N3O2
  • H donors: 1 H acceptors: 2 LogP: -0.2 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1ccc2c(c1)n(C)c(=O)n2C
  • InChi: 1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
  • InChiKey: BRBLVCVSNVSPMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3-dimethyl-2-oxo-benzimidazole-5-carboxamide
  • 1,3-dimethyl-2-oxo-5-benzimidazolecarboxamide
  • 2-keto-1,3-dimethyl-benzimidazole-5-carboxamide
  • 1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid amide
  • BAS 08314227
  • ZINC00812404
  • SDCCGMLS-0040311.P002
  • 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
  • ChemDiv2_002770
  • MLS000100042
  • SMR000081748

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 bromodomain and PHD finger containing, 1 Starlite/ChEMBL References
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae NTO1 (YPR031W) Histone Acetyl Transferase complex component Get druggable targets OG5_128151 All targets in OG5_128151
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
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
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peregrin Get druggable targets OG5_128151 All targets in OG5_128151
Echinococcus granulosus peregrin Get druggable targets OG5_128151 All targets in OG5_128151
Schistosoma japonicum Peregrin, putative Get druggable targets OG5_128151 All targets in OG5_128151
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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 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
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis hypothetical protein Get druggable targets OG5_128151 All targets in OG5_128151
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128151 All targets in OG5_128151
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 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
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative 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
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 Get druggable targets OG5_128151 All targets in OG5_128151
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Bromodomain containing protein Get druggable targets OG5_128151 All targets in OG5_128151
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans similar to S. cerevisiae NTO1 (YPR031W) Histone Acetyl Transferase complex component Get druggable targets OG5_128151 All targets in OG5_128151
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 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
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 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
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128151 All targets in OG5_128151
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
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
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1656 1
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0045 0.068 0.0283
Schistosoma mansoni enhancer of polycomb 0.0018 0.0146 0.0158
Loa Loa (eye worm) hypothetical protein 0.0045 0.068 0.0507
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0045 0.068 0.0144
Loa Loa (eye worm) hypothetical protein 0.0045 0.068 0.0507
Loa Loa (eye worm) hypothetical protein 0.0045 0.068 0.0507
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0108 0.1917 0.2076
Giardia lamblia PHD finger protein 15 0.0029 0.0371 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1656 0.1793
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0371 0.0248
Schistosoma mansoni FFA transport protein 0.0479 0.9236 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0434 0.0491
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0045 0.068 0.0507
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0472 0.9113 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 0.1047
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1656 0.1661
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0045 0.068 0.0144
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.002 0.0182 0.004
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0045 0.068 0.0283
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.068 0.0144
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0045 0.068 0.0283
Loa Loa (eye worm) hypothetical protein 0.0094 0.1656 0.1501
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0984 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.068 0.0144
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0045 0.068 0.0587
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0045 0.068 0.0144
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0045 0.068 0.0587
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.068 0.0507
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0479 0.9236 1
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0045 0.068 0.0283
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1014 0.0955
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 0.5
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0045 0.068 0.0144
Entamoeba histolytica acyl-CoA synthetase, putative 0.0045 0.068 0.5
Schistosoma mansoni enhancer of polycomb 0.0018 0.0146 0.0158
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0045 0.068 0.0283
Onchocerca volvulus 0.0045 0.068 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0479 0.9236 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1014 0.0668
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0045 0.068 0.2401
Loa Loa (eye worm) hypothetical protein 0.0029 0.0371 0.0193
Brugia malayi AMP-binding enzyme family protein 0.0045 0.068 0.0507
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1014 0.0535
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0045 0.068 0.0144
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0371 0.0193
Leishmania major fatty acid transporter protein-like protein 0.0472 0.9113 1
Echinococcus granulosus peregrin 0.0118 0.2125 0.2177
Brugia malayi Bromodomain containing protein 0.0111 0.1973 0.1825
Schistosoma mansoni enhancer of polycomb 0.0018 0.0146 0.0158
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 0.1047
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0045 0.068 0.0144
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0472 0.9113 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0517 1 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0045 0.068 0.5
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0479 0.9236 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.068 0.0144
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.002 0.0182 0.004
Brugia malayi AMP-binding enzyme family protein 0.0045 0.068 0.0507
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0045 0.068 0.2401
Toxoplasma gondii hypothetical protein 0.0033 0.0434 0.0491
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2637 0.2501
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0045 0.068 0.2401
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1014 0.0535
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.068 0.0144
Brugia malayi AMP-binding enzyme family protein 0.0045 0.068 0.0507
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 1
Echinococcus multilocularis peregrin 0.0118 0.2125 0.2177
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0371 0.0248
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 1
Brugia malayi PHD-finger family protein 0.0029 0.0371 0.0193
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0045 0.068 0.0144
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0045 0.068 0.5
Schistosoma mansoni hypothetical protein 0.0029 0.0371 0.0402
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.068 0.0144
Loa Loa (eye worm) hypothetical protein 0.0045 0.068 0.0507
Brugia malayi Probable ClpP-like protease 0.0094 0.1656 0.1501
Schistosoma mansoni acetyl-CoA synthetase 0.0045 0.068 0.0736
Entamoeba histolytica acyl-CoA synthetase, putative 0.0045 0.068 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1014 0.0955
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0517 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0984 0.0817
Loa Loa (eye worm) oxidoreductase 0.0045 0.068 0.0507
Toxoplasma gondii propionate-CoA ligase 0.0045 0.068 0.2401
Brugia malayi AMP-binding enzyme family protein 0.0045 0.068 0.0507
Entamoeba histolytica acyl-coA synthetase, putative 0.0045 0.068 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1656 0.1661
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0045 0.068 0.0144
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1656 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1656 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0045 0.068 0.0507
Brugia malayi MH2 domain containing protein 0.0144 0.2637 0.2501
Onchocerca volvulus 0.0045 0.068 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1656 1
Brugia malayi AMP-binding enzyme family protein 0.0045 0.068 0.0507
Schistosoma mansoni enhancer of polycomb 0.0018 0.0146 0.0158
Onchocerca volvulus 0.0045 0.068 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1656 0.1408
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2637 0.2501
Brugia malayi AMP-binding enzyme family protein 0.0045 0.068 0.0507
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0045 0.068 0.5
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0045 0.068 0.0507
Onchocerca volvulus 0.0045 0.068 1
Onchocerca volvulus 0.0045 0.068 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0434 0.0491
Echinococcus granulosus long chain fatty acid transport protein 4 0.0479 0.9236 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0045 0.068 0.2401

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.1 Binding affinity to 6His-tagged-BRD4 BD1 Y390A mutant (1 to 477 aa) (unknown origin) by TR-FRET competitive assay ChEMBL. 25408830
IC50 (binding) = 5 Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay ChEMBL. 25408830
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 10 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) 14.1254 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 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) 25.929 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) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 112.2018 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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