Detailed information for compound 1455158

Basic information

Technical information
  • TDR Targets ID: 1455158
  • Name: 6-chloro-2-[(6-nitro-1H-benzimidazol-2-yl)sul fanylmethyl]imidazo[1,2-a]pyridine
  • MW: 359.79 | Formula: C15H10ClN5O2S
  • H donors: 1 H acceptors: 4 LogP: 4.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2n(c1)cc(n2)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C15H10ClN5O2S/c16-9-1-4-14-17-10(7-20(14)6-9)8-24-15-18-12-3-2-11(21(22)23)5-13(12)19-15/h1-7H,8H2,(H,18,19)
  • InChiKey: SPNHUUZBTTUCHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-chloro-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]imidazo[1,2-a]pyridine
  • Oprea1_151968
  • ZINC02282169
  • STOCK1S-75614
  • 2-(6-Chloro-imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-nitro-1H-benzoimidazole
  • MLS000588281
  • SMR000212079

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GPCR family 2 0.0031 0.0333 0.0257
Toxoplasma gondii type I fatty acid synthase, putative 0.0035 0.044 0.301
Loa Loa (eye worm) hypothetical protein 0.0028 0.0223 0.0165
Echinococcus multilocularis muscleblind protein 1 0.018 0.4653 0.5231
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0049 0.0853 0.464
Brugia malayi RNA binding protein 0.0323 0.8796 1
Onchocerca volvulus Fatty acid synthase homolog 0.0089 0.2003 0.2119
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0049 0.0853 0.129
Loa Loa (eye worm) TAR-binding protein 0.0323 0.8796 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.2303 0.2551
Echinococcus multilocularis tar DNA binding protein 0.0323 0.8796 1
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0955 0.0733
Onchocerca volvulus 0.01 0.2333 0.2574
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0049 0.0853 0.1709
Toxoplasma gondii type I fatty acid synthase, putative 0.0052 0.0942 0.8117
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0052 0.0942 0.1477
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.2333 0.256
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.111 0.0919
Mycobacterium ulcerans Type I modular polyketide synthase 0.0049 0.0853 0.129
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0052 0.0942 0.5313
Onchocerca volvulus 0.0046 0.0759 0.0403
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.024 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.1391 0.1476
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0074 0.1562 0.3127
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0052 0.0942 0.5313
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.2333 0.256
Schistosoma mansoni hypothetical protein 0.0031 0.0333 0.0257
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0035 0.045 0.0901
Loa Loa (eye worm) hypothetical protein 0.018 0.4653 0.5248
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0049 0.0853 0.1709
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0466 0.0411
Loa Loa (eye worm) fatty acid synthase 0.0049 0.0834 0.0866
Onchocerca volvulus 0.0058 0.111 0.0888
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0046 0.0759 0.152
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0466 0.0411
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0052 0.0942 0.1887
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0759 0.0504
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0333 0.0257
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.024 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7704 0.8743
Mycobacterium leprae Probable polyketide synthase Pks1 0.0052 0.0942 0.5313
Mycobacterium ulcerans Type I modular polyketide synthase 0.0049 0.0853 0.129
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0333 0.0291
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.2303 0.2328
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.024 0.0969
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0955 0.0052
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0333 0.0257
Schistosoma mansoni tar DNA-binding protein 0.0323 0.8796 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0048 0.0809 0.1621
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1391 0.125
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Mycobacterium ulcerans polyketide synthase 0.0049 0.0853 0.129
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0094 0.2136 0.213
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.024 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0074 0.1562 0.278
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7704 0.8743
Brugia malayi RNA recognition motif domain containing protein 0.0323 0.8796 1
Brugia malayi hypothetical protein 0.0053 0.0955 0.0736
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4428 0.4291
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1234 0.0358
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0955 0.0052
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0323 0.8796 1
Mycobacterium ulcerans thioesterase TesA 0.0041 0.0614 0.0788
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7718 0.5
Mycobacterium ulcerans polyketide synthase 0.0052 0.0942 0.1477
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0466 0.0411
Schistosoma mansoni tar DNA-binding protein 0.0323 0.8796 1
Schistosoma mansoni hypothetical protein 0.0031 0.0333 0.0257
Loa Loa (eye worm) hypothetical protein 0.0083 0.1827 0.2005
Loa Loa (eye worm) hypothetical protein 0.0099 0.2303 0.2551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0466 0.0411
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6711 0.7608
Brugia malayi MH2 domain containing protein 0.0236 0.6275 0.7021
Echinococcus multilocularis GPCR, family 2 0.0031 0.0333 0.0257
Loa Loa (eye worm) hypothetical protein 0.0031 0.0333 0.0291
Schistosoma mansoni hypothetical protein 0.0031 0.0333 0.0257
Toxoplasma gondii hypothetical protein 0.0059 0.1127 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0955 0.1005
Schistosoma mansoni survival motor neuron protein 0.0058 0.111 0.1153
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.004 0.0573 0.0701
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0466 0.0411
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.024 0.0969
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0466 0.0411
Echinococcus multilocularis muscleblind protein 0.018 0.4653 0.5231
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0955 0.8253
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0049 0.0853 0.0615
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.6275 0.7108
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0048 0.0809 0.1621
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0466 0.0411
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0466 0.3166
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4428 0.4291
Brugia malayi hypothetical protein 0.0286 0.7704 0.871
Schistosoma mansoni hypothetical protein 0.0031 0.0333 0.0257
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0466 0.3275
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.2303 0.2328
Mycobacterium ulcerans thioesterase 0.0041 0.0614 0.0788
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.004 0.0573 0.0701
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0333 0.0257
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0032 0.035 0.209
Echinococcus granulosus muscleblind protein 0.018 0.4653 0.5231
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.2333 0.256
Brugia malayi Pre-SET motif family protein 0.0036 0.0466 0.0158
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0041 0.0614 0.2833
Loa Loa (eye worm) hypothetical protein 0.0286 0.7704 0.8748
Entamoeba histolytica hypothetical protein 0.0028 0.024 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.4653 0.5248
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0049 0.0853 0.464
Mycobacterium ulcerans Type I modular polyketide synthase 0.0049 0.0853 0.129
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.004 0.0573 0.2522
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0028 0.0235 0.0471
Echinococcus granulosus tar DNA binding protein 0.0323 0.8796 1
Onchocerca volvulus 0.0086 0.1914 0.1996
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0074 0.1562 0.3127
Loa Loa (eye worm) RNA binding protein 0.0323 0.8796 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0955 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0908 0.0685
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0333 0.0257
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.6275 0.7108
Brugia malayi Pre-SET motif family protein 0.0251 0.6711 0.7537
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.4993 1
Schistosoma mansoni tar DNA-binding protein 0.0323 0.8796 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0041 0.0614 0.123
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0955 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0049 0.0853 0.1709
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0046 0.0759 0.078
Mycobacterium leprae Polyketide synthase Pks13 0.0074 0.1562 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0955 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0033 0.0368 0.0269
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Leishmania major hypothetical protein, conserved 0.0053 0.0955 0.0733
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.2333 0.2364
Schistosoma mansoni tar DNA-binding protein 0.0323 0.8796 1
Schistosoma mansoni hypothetical protein 0.0058 0.111 0.1153
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0052 0.0942 0.1477
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0052 0.0942 0.1887
Loa Loa (eye worm) hypothetical protein 0.0068 0.1391 0.1505
Brugia malayi hypothetical protein 0.0034 0.0412 0.0093
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0033 0.0368 0.0269
Loa Loa (eye worm) hypothetical protein 0.0036 0.0466 0.0444
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0033 0.0368 0.0969
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.024 0.048
Mycobacterium ulcerans hypothetical protein 0.0192 0.4993 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.004 0.0592 0.1186
Brugia malayi TAR-binding protein 0.0323 0.8796 1
Onchocerca volvulus 0.0286 0.7718 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4428 0.3871
Brugia malayi Muscleblind-like protein 0.018 0.4653 0.5105
Schistosoma mansoni tar DNA-binding protein 0.0323 0.8796 1
Loa Loa (eye worm) hypothetical protein 0.01 0.2333 0.2586
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0428 0.0367
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0052 0.0942 0.1887

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.0158 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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