Detailed information for compound 1218777

Basic information

Technical information
  • TDR Targets ID: 1218777
  • Name: MLS000729747
  • MW: 380.356 | Formula: C15H20N6O6
  • H donors: 2 H acceptors: 6 LogP: 1.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNc1cc(N2CCN(CC2)C(=O)OCC)c2c(c1[N+](=O)[O-])non2
  • InChi: 1S/C15H20N6O6/c1-2-26-15(23)20-6-4-19(5-7-20)11-9-10(16-3-8-22)14(21(24)25)13-12(11)17-27-18-13/h9,16,22H,2-8H2,1H3
  • InChiKey: UPKZIQATUXZIOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000308024
  • ethyl 4-{6-[(2-hydroxyethyl)amino]-7-nitro-2,1,3-benzoxadiazol-4-yl}piperazine-1-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0341 0.0332
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0633 0.0594
Onchocerca volvulus 0.0041 0.0388 0.0509
Trypanosoma cruzi homoserine kinase 0.0098 0.1071 0.3402
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0266 0.312 1
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.029 0.1674
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.091 0.2701
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0041 0.0388 0.1523
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.029 0.0823
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0413 0.1634
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0413 0.0405
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.091 0.2701
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0041 0.0178
Giardia lamblia Kinase, PLK 0.02 0.2319 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.02 0.2319 1
Plasmodium falciparum glutathione reductase 0.0037 0.0335 0.1549
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3257 1
Trypanosoma cruzi galactokinase, putative 0.0262 0.3067 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0413 0.1751
Echinococcus granulosus N acetylgalactosamine kinase 0.0135 0.1529 0.1522
Schistosoma mansoni hypothetical protein 0.0166 0.1897 0.1863
Trypanosoma brucei polo-like protein kinase 0.02 0.2319 1
Loa Loa (eye worm) glutathione reductase 0.0037 0.0335 0.141
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.029 0.1094
Mycobacterium ulcerans hypothetical protein 0.0126 0.1417 0.447
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0776 0.2427
Leishmania major hypothetical protein, conserved 0.0033 0.029 0.0823
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.109 0.4605
Loa Loa (eye worm) hypothetical protein 0.0043 0.0413 0.1751
Trichomonas vaginalis galactokinase, putative 0.0135 0.1529 0.6535
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0169 0.1935 0.5889
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Mycobacterium ulcerans galactokinase 0.0262 0.3067 0.9828
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0633 0.0594
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.091 0.2701
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0413 0.1634
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.1024 0.3057
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0413 0.1751
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0413 0.1157
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0413 0.0093
Mycobacterium tuberculosis Conserved protein 0.0043 0.0413 0.1157
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0413 0.1157
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.109 0.4605
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0413 0.123
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0413 0.1209
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0335 0.097
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.091 0.2701
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0776 0.0737
Plasmodium falciparum thioredoxin reductase 0.0037 0.0335 0.1549
Toxoplasma gondii thioredoxin reductase 0.0037 0.0335 0.1972
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0633 0.0594
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.029 0.0823
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0041 0.0388 0.0379
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Trypanosoma brucei homoserine kinase 0.0098 0.1071 0.4521
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0098 0.1071 0.4521
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0776 0.0767
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi mevalonate kinase family protein 0.0098 0.1071 0.4618
Trypanosoma cruzi polo-like protein kinase, putative 0.02 0.2319 0.7526
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0413 0.1634
Echinococcus granulosus geminin 0.0166 0.1897 0.189
Echinococcus multilocularis galactokinase 0.0262 0.3067 0.3061
Echinococcus granulosus serine:threonine protein kinase PLK1 0.02 0.2319 0.2312
Brugia malayi galactokinase family protein 0.0135 0.1529 0.6597
Trypanosoma cruzi fucose kinase, putative 0.0056 0.0568 0.1742
Leishmania major mevalonate kinase, putative 0.0098 0.1071 0.3402
Schistosoma mansoni mevalonate kinase 0.0098 0.1071 0.1034
Echinococcus multilocularis Mevalonate galactokinase 0.0098 0.1071 0.1063
Trichomonas vaginalis galactokinase, putative 0.0135 0.1529 0.6535
Echinococcus granulosus tar DNA binding protein 0.0062 0.0633 0.0624
Leishmania major galactokinase-like protein 0.0262 0.3067 1
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0041 0.0388 0.1146
Loa Loa (eye worm) hepatopoietin HPO2 0.0033 0.029 0.1218
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0413 0.0093
Mycobacterium ulcerans phosphomevalonate kinase 0.0098 0.1071 0.3344
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.0041 0.0388 0.1523
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.029 0.1315
Mycobacterium tuberculosis Conserved protein 0.0043 0.0413 0.1157
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0266 0.312 1
Trypanosoma cruzi homoserine kinase 0.0098 0.1071 0.3402
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0098 0.1071 0.3201
Echinococcus multilocularis muscleblind protein 1 0.018 0.2075 0.2068
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0341 0.0332
Mycobacterium tuberculosis Probable reductase 0.0084 0.091 0.2701
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0033 0.029 0.0282
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0633 0.0594
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0413 0.1157
Echinococcus granulosus galactokinase 0.0262 0.3067 0.3061
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0776 0.4935
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0169 0.1935 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0041 0.0032
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0041 0.0032
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0633 0.2702
Trypanosoma cruzi galactokinase-like protein, putative 0.0221 0.2565 0.834
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.0041 0.0388 0.1146
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0041 0.0388 0.1146
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0641 0.4031
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0413 0.0374
Loa Loa (eye worm) hypothetical protein 0.0041 0.0388 0.1641
Trichomonas vaginalis galactokinase, putative 0.0135 0.1529 0.6535
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0135 0.1529 1
Schistosoma mansoni galactokinase 0.0135 0.1529 0.1494
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0413 0.1783
Brugia malayi beta-lactamase family protein 0.0043 0.0413 0.1783
Mycobacterium ulcerans homoserine kinase 0.0098 0.1071 0.3344
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0041 0.0388 0.0379
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0776 0.2385
Leishmania major trypanothione reductase 0.0037 0.0335 0.097
Toxoplasma gondii ABC1 family protein 0.0043 0.0413 0.25
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0633 0.0594
Onchocerca volvulus 0.0043 0.0413 0.0634
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0413 0.1209
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0776 0.2385
Loa Loa (eye worm) RNA binding protein 0.0062 0.0633 0.2702
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0008 0.0032
Brugia malayi beta-lactamase 0.0043 0.0413 0.1783
Treponema pallidum galactokinase 0.0221 0.2565 0.8197
Mycobacterium tuberculosis Probable homoserine kinase ThrB 0.0041 0.0388 0.1078
Plasmodium vivax glutathione reductase, putative 0.0037 0.0335 0.1549
Brugia malayi TAR-binding protein 0.0062 0.0633 0.273
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0041 0.0388 0.1146
Trypanosoma brucei mevalonate kinase, putative 0.0098 0.1071 0.4521
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0413 0.1157
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0041 0.0388 0.0348
Schistosoma mansoni cpg binding protein 0.0035 0.0307 0.0267
Brugia malayi serine/threonine-protein kinase plk-2 0.02 0.2319 1
Schistosoma mansoni kinase 0.0102 0.1122 0.1085
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0413 0.1634
Mycobacterium tuberculosis Conserved protein 0.0043 0.0413 0.1157
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0413 0.0405
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.091 0.191
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0413 0.0374
Echinococcus granulosus cpg binding protein 0.0035 0.0307 0.0298
Loa Loa (eye worm) hypothetical protein 0.0098 0.1071 0.4597
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0098 0.1071 0.3344
Schistosoma mansoni serine/threonine protein kinase 0.02 0.2319 0.2287
Leishmania major homoserine kinase, putative 0.0098 0.1071 0.3402
Loa Loa (eye worm) hypothetical protein 0.018 0.2075 0.8946
Trypanosoma cruzi polo-like protein kinase, putative 0.02 0.2319 0.7526
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0413 0.1157
Toxoplasma gondii GHMP kinase, putative 0.0098 0.1071 0.6917
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0413 0.1157
Trypanosoma cruzi mevalonate kinase, putative 0.0098 0.1071 0.3402
Trypanosoma cruzi galactokinase, putative 0.0262 0.3067 1
Trypanosoma cruzi galactokinase, putative 0.0221 0.2565 0.834
Loa Loa (eye worm) galactokinase 0.0135 0.1529 0.6583
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.1024 0.3057
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.091 0.2701
Onchocerca volvulus 0.0043 0.0413 0.0634
Echinococcus multilocularis geminin 0.0166 0.1897 0.189
Loa Loa (eye worm) hypothetical protein 0.0043 0.0413 0.1751
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Trypanosoma brucei trypanothione reductase 0.0037 0.0335 0.1288
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0169 0.1935 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0776 0.2284
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0041 0.0388 0.1146
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0335 0.1549
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0413 0.123
Trichomonas vaginalis esterase, putative 0.0043 0.0413 0.1634
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.1024 0.3057
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.0732 0.0693
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0413 0.1751
Loa Loa (eye worm) hypothetical protein 0.018 0.2075 0.8946
Leishmania major fucose kinase, putative 0.0041 0.0388 0.1146
Loa Loa (eye worm) hypothetical protein 0.0043 0.0413 0.1751
Echinococcus multilocularis cpg binding protein 0.0035 0.0307 0.0298
Brugia malayi Muscleblind-like protein 0.018 0.2075 0.895
Schistosoma mansoni cpg binding protein 0.0033 0.0284 0.0244
Trichomonas vaginalis mevalonate kinase, putative 0.0041 0.0388 0.1523
Leishmania major fucose kinase, putative 0.0041 0.0388 0.1146
Brugia malayi glutathione reductase 0.0037 0.0335 0.1444
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.029 0.1674
Echinococcus granulosus Mevalonate galactokinase 0.0098 0.1071 0.1063
Trypanosoma cruzi fucose kinase, putative 0.0056 0.0568 0.1742
Brugia malayi CXXC zinc finger family protein 0.0033 0.0284 0.1227
Treponema pallidum hypothetical protein 0.0266 0.312 1
Schistosoma mansoni cpg binding protein 0.0035 0.0307 0.0267
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.029 0.1315
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0266 0.312 1
Trypanosoma brucei galactokinase-like protein, putative 0.0168 0.1926 0.8275
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0041 0.0388 0.1674
Trichomonas vaginalis galactokinase, putative 0.0056 0.0568 0.2315
Giardia lamblia Diphosphomevalonate decarboxylase 0.0041 0.0388 0.1523
Entamoeba histolytica galactokinase, putative 0.0262 0.3067 1
Onchocerca volvulus 0.0043 0.0413 0.0634
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0413 0.1634
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0413 0.1634
Leishmania major phosphomevalonate kinase protein, putative 0.0098 0.1071 0.3402
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0284 0.1192
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0413 0.1965
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0166 0.1897 0.1863
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0335 0.0912
Leishmania major hypothetical protein, conserved 0.0043 0.0413 0.123
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0633 0.2702
Mycobacterium ulcerans beta-lactamase 0.0043 0.0413 0.1209
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0033 0.029 0.0282
Mycobacterium ulcerans hypothetical protein 0.0043 0.0413 0.1209
Echinococcus multilocularis N acetylgalactosamine kinase 0.0135 0.1529 0.1522
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.02 0.2319 0.2312
Mycobacterium ulcerans lipase LipD 0.0043 0.0413 0.1209
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0776 0.0767
Brugia malayi RNA binding protein 0.0062 0.0633 0.273
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Trichomonas vaginalis galactokinase, putative 0.0041 0.0388 0.1523
Mycobacterium ulcerans diphosphomevalonate decarboxylase 0.0041 0.0388 0.1126
Loa Loa (eye worm) beta-lactamase 0.0043 0.0413 0.1751
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.02 0.2319 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0776 0.0737
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0335 0.141
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0633 0.273
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.02 0.2319 0.7526
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0388 0.1523
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0633 0.0624
Brugia malayi Thioredoxin reductase 0.0037 0.0335 0.1444
Giardia lamblia Mevalonate kinase 0.0098 0.1071 0.4521
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0776 0.2385
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.021 0.2437 1
Brugia malayi Augmenter of liver regeneration 0.0033 0.029 0.1252
Trichomonas vaginalis galactokinase, putative 0.0135 0.1529 0.6535
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0413 0.1157
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2319 1
Echinococcus multilocularis muscleblind protein 0.018 0.2075 0.2068
Loa Loa (eye worm) hypothetical protein 0.0043 0.0413 0.1751
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.029 0.0823
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.1024 0.2329
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0262 0.3067 0.9409
Brugia malayi beta-lactamase family protein 0.0043 0.0413 0.1783
Echinococcus granulosus muscleblind protein 0.018 0.2075 0.2068
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.0041 0.0388 0.1523

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 um PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ] ChEMBL. No reference
Potency (functional) 0.1122 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) 2.3323 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 (binding) 2.5119 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 14.7157 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 (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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