Detailed information for compound 1400064

Basic information

Technical information
  • TDR Targets ID: 1400064
  • Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-7-ylc arbamoylamino)-2-oxoethyl]piperazine-1-carbox ylate
  • MW: 392.406 | Formula: C18H24N4O6
  • H donors: 2 H acceptors: 3 LogP: 1.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2
  • InChi: 1S/C18H24N4O6/c1-2-26-18(25)22-7-5-21(6-8-22)12-16(23)20-17(24)19-13-3-4-14-15(11-13)28-10-9-27-14/h3-4,11H,2,5-10,12H2,1H3,(H2,19,20,23,24)
  • InChiKey: ISEQBCDFVCGZLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-7-ylcarbamoylamino)-2-oxo-ethyl]piperazine-1-carboxylate
  • 4-[2-[[(2,3-dihydro-1,4-benzodioxin-7-ylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
  • 4-[2-(2,3-dihydro-1,4-benzodioxin-7-ylcarbamoylamino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.1463 0.3032
Mycobacterium tuberculosis Probable reductase 0.0087 0.1463 0.3032
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0346 0.243
Brugia malayi Thioredoxin reductase 0.0038 0.0386 0.0318
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0079 0.1287 0.581
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0346
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0079 0.1287 0.581
Trichomonas vaginalis esterase, putative 0.0036 0.0346 0.243
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0101 0.1784 0.1784
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0024 0.0081 0.0024
Brugia malayi beta-lactamase family protein 0.0036 0.0346 0.0278
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0504 0.0504
Brugia malayi MH2 domain containing protein 0.0096 0.1668 0.1609
Loa Loa (eye worm) hypothetical protein 0.0052 0.0683 0.0683
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0386 0.0386
Mycobacterium tuberculosis Probable thioesterase TesA 0.0066 0.0997 0.2017
Mycobacterium leprae Polyketide synthase Pks13 0.0118 0.2149 1
Brugia malayi hypothetical protein 0.0029 0.0185 0.0116
Onchocerca volvulus 0.0074 0.1173 0.3723
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0084 0.1396 0.2885
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1208 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0096 0.1668 0.1668
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0118 0.2149 0.4525
Schistosoma mansoni bromodomain containing protein 0.0076 0.1233 0.5539
Loa Loa (eye worm) acyl carrier protein 0.0036 0.0346 0.0346
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0079 0.1287 0.2649
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0637 0.286
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0346 0.0346
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0149 0.2847 0.2797
Schistosoma mansoni chromobox protein 0.0075 0.1208 0.5424
Onchocerca volvulus 0.0036 0.0346 0.0293
Schistosoma mansoni hypothetical protein 0.0101 0.1784 0.8011
Schistosoma mansoni hypothetical protein 0.0029 0.0185 0.083
Brugia malayi Bromodomain containing protein 0.0046 0.0567 0.05
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0027 0.0144 0.0161
Mycobacterium tuberculosis Conserved protein 0.0036 0.0346 0.0602
Mycobacterium ulcerans Type I modular polyketide synthase 0.0079 0.1287 0.5834
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0346 0.0602
Echinococcus granulosus chromobox protein 1 0.0075 0.1208 0.1208
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0063 0.0947 0.4188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0637 0.286
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.1677 0.3498
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0346 0.1556
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0064 0.097 0.1959
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0045 0.0536 0.1013
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0346 0.0602
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0346 0.0602
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0548 0.1129
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0205 0.1187
Plasmodium vivax glutathione reductase, putative 0.0038 0.0386 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0051 0.0675 0.3135
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0346 0.1285
Echinococcus multilocularis chromobox protein 1 0.0075 0.1208 0.1208
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0346 0.243
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0386 0.0386
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0084 0.1396 0.6337
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0637 0.0637
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0063 0.0947 0.4188
Plasmodium falciparum thioredoxin reductase 0.0038 0.0386 0.5
Mycobacterium leprae Probable polyketide synthase Pks1 0.0084 0.1396 0.6337
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0346 0.0602
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1208 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0032 0.025 0.0391
Echinococcus multilocularis zinc finger protein 0.0024 0.0067 0.0067
Loa Loa (eye worm) fatty acid synthase 0.0078 0.1264 0.1264
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0052 0.0697 0.2941
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0548 0.42
Onchocerca volvulus 0.0036 0.0346 0.0293
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0079 0.1287 0.2649
Brugia malayi Heterochromatin protein 1 0.0075 0.1208 0.1146
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0637 0.0637
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0079 0.1287 0.2649
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0074 0.1173 0.1173
Loa Loa (eye worm) hypothetical protein 0.0046 0.0569 0.0569
Mycobacterium ulcerans thioesterase 0.0066 0.0997 0.443
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0052 0.0697 0.2981
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0637 0.0637
Schistosoma mansoni thyroid hormone receptor 0.0109 0.1963 0.8818
Mycobacterium ulcerans Type I modular polyketide synthase 0.0079 0.1287 0.5834
Onchocerca volvulus 0.0137 0.2578 0.9551
Mycobacterium ulcerans Type I modular polyketide synthase 0.0079 0.1287 0.5834
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0346 0.0346
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0346 0.1556
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0386 0.0688
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.1463 0.3032
Loa Loa (eye worm) hypothetical protein 0.0049 0.0632 0.0632
Mycobacterium ulcerans polyketide synthase Pks13 0.0118 0.2149 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0346 0.0602
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0146 0.0146
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0029 0.0185 0.0185
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0063 0.0947 0.4155
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0477 0.3578
Loa Loa (eye worm) hypothetical protein 0.0132 0.2472 0.2472
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.1677 0.3498
Toxoplasma gondii type I fatty acid synthase, putative 0.0084 0.1396 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0084 0.1396 0.6357
Plasmodium falciparum glutathione reductase 0.0038 0.0386 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0081 0.0011
Mycobacterium ulcerans polyketide synthase 0.0079 0.1287 0.5834
Loa Loa (eye worm) beta-lactamase 0.0036 0.0346 0.0346
Schistosoma mansoni thyroid hormone receptor 0.0109 0.1963 0.8818
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0346 0.0602
Mycobacterium tuberculosis Conserved protein 0.0036 0.0346 0.0602
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0346 0.1285
Trypanosoma brucei trypanothione reductase 0.0038 0.0386 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.1463 0.3032
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0057 0.0797 0.1582
Echinococcus granulosus chromobox protein 1 0.0075 0.1208 0.1208
Toxoplasma gondii type I fatty acid synthase, putative 0.0056 0.0785 0.4183
Brugia malayi glutathione reductase 0.0038 0.0386 0.0318
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.1208 0.1208
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.1677 0.7705
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0346 0.0346
Entamoeba histolytica hypothetical protein 0.0029 0.0185 0.5
Entamoeba histolytica hypothetical protein 0.0029 0.0185 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0346 0.243
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0084 0.1396 0.2885
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0146 0.0146
Brugia malayi AMP-binding enzyme family protein 0.0074 0.1173 0.1111
Loa Loa (eye worm) hypothetical protein 0.0033 0.0276 0.0276
Mycobacterium ulcerans beta-lactamase 0.0036 0.0346 0.1285
Onchocerca volvulus Fatty acid synthase homolog 0.0142 0.2686 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0074 0.1173 0.24
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0346
Brugia malayi PHD-finger family protein 0.003 0.021 0.0141
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0346
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0637 0.0571
Loa Loa (eye worm) hypothetical protein 0.0044 0.0521 0.0521
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0076 0.1234 0.2533
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.1463 0.6665
Echinococcus multilocularis thyroid hormone receptor alpha 0.0109 0.1963 0.1963
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0346
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0504 0.0504
Schistosoma mansoni zinc finger protein 0.0024 0.0067 0.0302
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0066 0.0997 0.4398
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.1463 0.3032
Schistosoma mansoni methyltransferase-related 0.0024 0.007 0.0314
Brugia malayi Bromodomain containing protein 0.0091 0.1546 0.1486
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0346
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0079 0.1287 0.1226
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0076 0.1234 0.2533
Giardia lamblia Methyltransferase like 2 0.0024 0.007 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0118 0.2149 0.4525
Mycobacterium ulcerans thioesterase TesA 0.0066 0.0997 0.443
Mycobacterium ulcerans polyketide synthase Pks9 0.0052 0.0697 0.2981
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0346 0.0602
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0096 0.0096
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0146 0.0658
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0101 0.1784 0.1784
Brugia malayi beta-lactamase 0.0036 0.0346 0.0278
Mycobacterium ulcerans lipase LipD 0.0036 0.0346 0.1285
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0637 0.0637
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0637 0.0637
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0477 0.0835
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0084 0.1396 0.2885
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0025 0.0092 0.0049
Mycobacterium tuberculosis Conserved protein 0.0036 0.0346 0.0602
Loa Loa (eye worm) hypothetical protein 0.0036 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.0025 0.0096 0.0429
Mycobacterium ulcerans fatty acid synthase Fas 0.0025 0.0092 0.0056
Loa Loa (eye worm) transcription factor SMAD2 0.0096 0.1668 0.1668
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0346 0.0278
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0346 0.243
Loa Loa (eye worm) hypothetical protein 0.0085 0.1432 0.1432
Entamoeba histolytica hypothetical protein 0.0029 0.0185 0.5
Mycobacterium ulcerans polyketide synthase 0.0084 0.1396 0.6357
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0386 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0477 0.0477
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.004 0.0426 0.0754
Onchocerca volvulus 0.0036 0.0346 0.0293
Mycobacterium leprae Probable lipase LipE 0.0036 0.0346 0.1235
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0386 0.0386
Brugia malayi chromobox protein homolog 3 0.0042 0.0477 0.041
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0079 0.1287 0.5834
Entamoeba histolytica hypothetical protein 0.0029 0.0185 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0084 0.1396 0.6337
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.1677 0.3498
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0016 0.0016
Loa Loa (eye worm) glutathione reductase 0.0038 0.0386 0.0386
Toxoplasma gondii thioredoxin reductase 0.0038 0.0386 0.0376
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.4665 1
Schistosoma mansoni transcription factor LCR-F1 0.0029 0.0185 0.083
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.1463 0.3032
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0548 0.42
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0029 0.0185 0.0185
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1138 0.1138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0637 0.286
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0084 0.1396 0.6357
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0205 0.1187
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0386 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0346 0.243
Leishmania major trypanothione reductase 0.0038 0.0386 1
Leishmania major hypothetical protein, conserved 0.0036 0.0346 0.8751
Echinococcus granulosus zinc finger protein 0.0024 0.0067 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0477 0.3578
Schistosoma mansoni chromobox protein 0.0075 0.1208 0.5424
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1138 0.1138
Echinococcus multilocularis chromobox protein 1 0.0075 0.1208 0.1208
Mycobacterium ulcerans hypothetical protein 0.0036 0.0346 0.1285
Brugia malayi beta-lactamase family protein 0.0036 0.0346 0.0278
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0346 0.1235

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.6891 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 50.1187 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 (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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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