Detailed information for compound 929402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.3 | Formula: C18H13NO5
  • H donors: 2 H acceptors: 5 LogP: 4.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)ccc(c2)c1cc([N+](=O)[O-])c(c(c1)C(=O)C)O
  • InChi: 1S/C18H13NO5/c1-10(20)16-8-14(9-17(18(16)22)19(23)24)12-2-3-13-7-15(21)5-4-11(13)6-12/h2-9,21-22H,1H3
  • InChiKey: RLRHJAFILBDEBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0225 0.0225
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.1042 0.3032
Echinococcus granulosus cyclin dependent kinase 0.0172 0.1956 0.1956
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0078 0.0087
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0177 0.201 0.5846
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0078 0.039
Echinococcus granulosus cyclin dependent kinase 1 0.0172 0.1956 0.1956
Loa Loa (eye worm) hypothetical protein 0.0704 0.8994 1
Plasmodium vivax RNA helicase-1, putative 0.0127 0.1348 0.689
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0179 0.2046 1
Schistosoma mansoni fad oxidoreductase 0.0059 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.003 0.0075 0.0083
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0127 0.1348 0.1348
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.1348 0.3921
Echinococcus granulosus eukaryotic initiation factor 4A 0.0127 0.1348 0.1348
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0172 0.1956 0.9527
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0704 0.8994 1
Schistosoma mansoni hypothetical protein 0.0031 0.0078 0.0078
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1511 0.1244
Trypanosoma brucei protein kinase, putative 0.0104 0.1042 0.5095
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0177 0.201 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.0225 0.0225
Plasmodium falciparum eukaryotic initiation factor 4A 0.0127 0.1348 0.689
Echinococcus granulosus dual specificity 0.0179 0.2046 0.2046
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0488 0.0488
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0172 0.1956 0.2175
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0059 0.0448 0.2191
Schistosoma mansoni lamin 0.003 0.0075 0.0075
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0104 0.1042 0.5095
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0488 0.0488
Loa Loa (eye worm) hypothetical protein 0.0059 0.0448 0.0498
Echinococcus granulosus mitogen activated protein kinase 0.0104 0.1042 0.1042
Loa Loa (eye worm) hypothetical protein 0.0042 0.0225 0.025
Giardia lamblia Kinase, CMGC CDK 0.0172 0.1956 0.569
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0238 0.0238
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0127 0.1348 0.6589
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0238 0.0238
Schistosoma mansoni hypothetical protein 0.0191 0.2207 0.2207
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0177 0.201 0.3736
Brugia malayi Protein kinase domain containing protein 0.0179 0.2046 0.3803
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0127 0.1348 0.3921
Plasmodium falciparum protein kinase 5 0.0172 0.1956 1
Trypanosoma cruzi cdc2-related kinase 1 0.0172 0.1956 0.9562
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0059 0.0448 0.2191
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1231 0.1369
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0488 0.0488
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0078 0.0078
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0152 0.0757
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0059 0.0448 0.0833
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0127 0.1348 0.2506
Loa Loa (eye worm) hypothetical protein 0.0028 0.0043 0.0047
Trichomonas vaginalis CMGC family protein kinase 0.0172 0.1956 0.569
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.0225 0.0653
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.1005 0.1005
Loa Loa (eye worm) hypothetical protein 0.0176 0.1997 0.2221
Echinococcus multilocularis snurportin 1 0.0299 0.3639 0.3639
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0078 0.0078
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0127 0.1348 0.1348
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0488 0.0488
Trichomonas vaginalis rotamase, putative 0.0036 0.0152 0.0442
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3438 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0172 0.1956 0.2175
Echinococcus granulosus geminin 0.0191 0.2207 0.2207
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.3639 0.4046
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0104 0.1042 0.5095
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0059 0.0448 0.2191
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0127 0.1348 0.6707
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3438 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0448 0.0498
Leishmania major hypothetical protein, conserved 0.0059 0.0448 0.1563
Schistosoma mansoni fad oxidoreductase 0.0059 0.0448 0.0448
Brugia malayi cDNA sequence BC016226 0.0059 0.0448 0.0833
Toxoplasma gondii hypothetical protein 0.0059 0.0448 0.223
Echinococcus granulosus peregrin 0.0031 0.0078 0.0078
Echinococcus granulosus lamin dm0 0.003 0.0075 0.0075
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0059 0.0448 0.1304
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0152 0.0744
Entamoeba histolytica hypothetical protein 0.0179 0.2046 0.595
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.1042 0.3032
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0075 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0225 0.0653
Brugia malayi Importin beta-1 subunit 0.0028 0.0043 0.0079
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0104 0.1042 0.5187
Schistosoma mansoni serine/threonine protein kinase 0.0172 0.1956 0.1956
Loa Loa (eye worm) hypothetical protein 0.0176 0.1997 0.2221
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0059 0.0448 0.2191
Schistosoma mansoni importin beta-1 0.0028 0.0043 0.0043
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0127 0.1348 0.1348
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0059 0.0448 0.2291
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0164 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.1042 0.3032
Brugia malayi jmjC domain containing protein 0.0037 0.0164 0.0305
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.3438 1
Brugia malayi Bromodomain containing protein 0.0031 0.0078 0.0146
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0059 0.0448 0.2191
Giardia lamblia Kinase, CMGC MAPK 0.0104 0.1042 0.3032
Echinococcus multilocularis geminin 0.0191 0.2207 0.2207
Echinococcus multilocularis lamin 0.003 0.0075 0.0075
Echinococcus multilocularis microtubule associated protein 2 0.078 1 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0059 0.0448 0.0448
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0043 0.0213
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0059 0.0448 0.223
Brugia malayi hypothetical protein 0.0431 0.538 1
Brugia malayi intermediate filament protein 0.003 0.0075 0.0139
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0488 0.0906
Brugia malayi jmjC domain containing protein 0.0101 0.1005 0.1868
Echinococcus multilocularis cyclin dependent kinase 0.0172 0.1956 0.1956
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0104 0.1042 0.4701
Brugia malayi MAP kinase sur-1 0.0104 0.1042 0.1938
Brugia malayi TAR-binding protein 0.0062 0.0488 0.0906
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0042 0.0225 0.0383
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0164 0.0182
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0225 0.1098
Brugia malayi RE18450p 0.0059 0.0448 0.0833
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0179 0.2046 1
Loa Loa (eye worm) hypothetical protein 0.0431 0.538 0.5982
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0164 0.0164
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0075 0.0139
Loa Loa (eye worm) RNA binding protein 0.0062 0.0488 0.0542
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0059 0.0448 0.2291
Brugia malayi RNA, U transporter 1 0.008 0.0728 0.1353
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0059 0.0448 0.0498
Brugia malayi MH2 domain containing protein 0.0118 0.1231 0.2289
Loa Loa (eye worm) hypothetical protein 0.0177 0.201 0.2235
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0177 0.201 0.9824
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0059 0.0448 0.0448
Echinococcus multilocularis mitogen activated protein kinase 3 0.0104 0.1042 0.1042
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0488 0.0542
Loa Loa (eye worm) hypothetical protein 0.0431 0.538 0.5982
Echinococcus granulosus importin subunit beta 1 0.0028 0.0043 0.0043
Onchocerca volvulus Putative fad oxidoreductase 0.0059 0.0448 0.0833
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0127 0.1348 0.1158
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0179 0.2046 1
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.2046 0.2046
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.1348 0.3921
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0225 0.0653
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0104 0.1042 0.5095
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0172 0.1956 0.2175
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0225 0.1098
Trypanosoma cruzi cdc2-related kinase 1 0.0172 0.1956 0.9562
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.1042 0.3032
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0078 0.04
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0059 0.0448 0.1304
Echinococcus granulosus snurportin 1 0.0299 0.3639 0.3639
Schistosoma mansoni hypothetical protein 0.0191 0.2207 0.2207
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0059 0.0448 0.0448
Schistosoma mansoni lozenge 0.0054 0.0387 0.0387
Echinococcus multilocularis dual specificity 0.0179 0.2046 0.2046
Plasmodium falciparum importin beta, putative 0.0028 0.0043 0.0218
Echinococcus multilocularis peregrin 0.0031 0.0078 0.0078
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.0164 0.0182
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0104 0.1042 0.5095
Trichomonas vaginalis CMGC family protein kinase 0.0172 0.1956 0.569
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.3438 1
Plasmodium falciparum phd finger protein, putative 0.0031 0.0078 0.04
Brugia malayi Protein kinase domain containing protein 0.0172 0.1956 0.3636
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.1005 0.1005
Schistosoma mansoni lamin 0.003 0.0075 0.0075
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0059 0.0448 0.2191
Brugia malayi RNA binding protein 0.0062 0.0488 0.0906
Trichomonas vaginalis rotamase, putative 0.0037 0.0164 0.0476
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0059 0.0448 0.2191
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0104 0.1042 0.4701
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0104 0.1042 0.1159
Entamoeba histolytica protein kinase, putative 0.0179 0.2046 0.595
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0059 0.0448 0.0833
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0078 0.039
Mycobacterium ulcerans hypothetical protein 0.0177 0.201 0.1827
Trypanosoma brucei cdc2-related kinase 3 0.0172 0.1956 0.9562
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0059 0.0448 0.0448
Chlamydia trachomatis D-amino acid dehydrogenase 0.0059 0.0448 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.1348 0.1499
Entamoeba histolytica protein kinase domain containing protein 0.0179 0.2046 0.595
Echinococcus multilocularis lamin dm0 0.003 0.0075 0.0075
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0512 0.0569
Schistosoma mansoni NAD dehydrogenase 0.0059 0.0448 0.0448
Echinococcus multilocularis cyclin dependent kinase 1 0.0172 0.1956 0.1956
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0177 0.201 0.5846
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.0225 0.0417
Brugia malayi PHD-finger family protein 0.0031 0.0078 0.0146
Trypanosoma cruzi cdc2-related kinase 3 0.0172 0.1956 0.9562
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0127 0.1348 0.1348
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0488 0.0488
Echinococcus multilocularis expressed protein 0.0037 0.0164 0.0164
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0177 0.201 0.9824
Echinococcus multilocularis mitogen activated protein kinase 0.0104 0.1042 0.1042
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0177 0.201 0.5846
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0225 0.0225
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0104 0.1042 0.5095
Echinococcus granulosus lamin 0.003 0.0075 0.0075
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0059 0.0448 0.1304
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0043 0.0209
Echinococcus multilocularis musashi 0.003 0.0075 0.0075
Onchocerca volvulus 0.003 0.0075 0.0139
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0059 0.0448 0.0833
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0059 0.0448 0.0833
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0059 0.0448 0.0448
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0369 0.0411
Schistosoma mansoni microtubule-associated protein tau 0.078 1 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0225 0.0225
Entamoeba histolytica protein kinase, putative 0.0179 0.2046 0.595
Echinococcus granulosus intermediate filament protein 0.003 0.0075 0.0075
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.0225 0.0225
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.0225 0.0225
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0164 0.0476
Entamoeba histolytica cell division protein kinase 2, putative 0.0172 0.1956 0.569
Echinococcus multilocularis cyclin dependent kinase 5 0.0172 0.1956 0.1956
Leishmania major eukaryotic initiation factor 4a, putative 0.0127 0.1348 0.6315
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0127 0.1348 0.1348
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0225 0.0653
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0179 0.2046 0.2275
Loa Loa (eye worm) runx1 0.0054 0.0387 0.043
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0059 0.0448 0.2191
Loa Loa (eye worm) hypothetical protein 0.0169 0.1908 0.2121
Schistosoma mansoni intermediate filament proteins 0.003 0.0075 0.0075
Schistosoma mansoni d-amino acid oxidase 0.0704 0.8994 0.8994
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0059 0.0448 0.0448
Echinococcus granulosus tar DNA binding protein 0.0062 0.0488 0.0488
Trypanosoma brucei cdc2-related kinase 1 0.0172 0.1956 0.9562
Loa Loa (eye worm) intermediate filament protein 0.003 0.0075 0.0083
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0172 0.1956 0.1956
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0059 0.0448 0.2191
Onchocerca volvulus Alhambra homolog 0.0031 0.0078 0.0146
Onchocerca volvulus 0.003 0.0075 0.0139
Leishmania major hypothetical protein, conserved 0.0059 0.0448 0.1563
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0172 0.1956 0.9527
Echinococcus granulosus expressed protein 0.0037 0.0164 0.0164
Brugia malayi eukaryotic initiation factor 4A 0.0127 0.1348 0.2506
Echinococcus multilocularis Protein lozenge 0.0054 0.0387 0.0387
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Brugia malayi cell division control protein 2 homolog 0.0172 0.1956 0.3636
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0059 0.0448 0.1563
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0078 0.0078
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0059 0.0448 0.2191
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0043 0.0043
Entamoeba histolytica cell division protein kinase 2, putative 0.0172 0.1956 0.569
Schistosoma mansoni jumonji domain containing protein 0.008 0.0731 0.0731
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0042 0.0225 0.0653
Loa Loa (eye worm) hypothetical protein 0.0059 0.0448 0.0498
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0152 0.0744
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0179 0.2046 1
Schistosoma mansoni serine/threonine protein kinase 0.0172 0.1956 0.1956
Echinococcus granulosus mitogen activated protein kinase 3 0.0104 0.1042 0.1042
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0059 0.0448 0.2191
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0164 0.0164
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.1042 0.1042
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1231 0.1369
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0704 0.8994 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0225 0.0225
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0152 0.0442
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1511 0.1244
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.003 0.0067 0.0075
Plasmodium vivax protein kinase Crk2 0.0172 0.1956 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1511 0.1368
Plasmodium vivax importin-beta 2, putative 0.0028 0.0043 0.0218
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0225 0.1098
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0177 0.201 0.9824
Schistosoma mansoni hypothetical protein 0.0299 0.3639 0.3639
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0645 0.8217 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0177 0.201 0.5846
Leishmania major eukaryotic initiation factor 4a, putative 0.0127 0.1348 0.6315
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0488 0.0542
Loa Loa (eye worm) hypothetical protein 0.0031 0.0078 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0488 0.0488
Onchocerca volvulus 0.0431 0.538 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0164 0.0164
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0172 0.1956 0.9734
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0043 0.0209
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0127 0.1348 0.6589
Schistosoma mansoni rotamase 0.0037 0.0164 0.0164
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0127 0.1348 0.3921
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0059 0.0448 0.2191
Trypanosoma cruzi cdc2-related kinase 3 0.0172 0.1956 0.9562
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0127 0.1348 0.6589
Echinococcus multilocularis cyclin dependent kinase 1 0.0172 0.1956 0.1956
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0177 0.201 0.981
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.1348 0.3921
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0152 0.0744
Giardia lamblia PHD finger protein 15 0.0031 0.0078 0.0228
Giardia lamblia Kinase, CMGC CDK 0.0172 0.1956 0.569
Trichomonas vaginalis CMGC family protein kinase 0.0172 0.1956 0.569
Echinococcus granulosus cyclin dependent kinase 5 0.0172 0.1956 0.1956
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.0164 0.0304
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3438 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.4 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs by sulforhodamine B assay ChEMBL. 25240702
Inhibition (binding) Inhibition of calf thymus DNA topoisomerase 1 assessed as reduction in pBR322 DNA relaxation at 100 uM incubated for 30 mins by DNA gel electrophoresis ChEMBL. 25240702
Inhibition (binding) Inhibition of human recombinant topoisomerase 2alpha assessed as reduction in pBR322 DNA relaxation at 100 uM incubated for 30 mins by DNA gel electrophoresis ChEMBL. 25240702
Inhibition (binding) Inhibition of human recombinant topoisomerase 2alpha assessed as reduction in kDNA decatenation at 100 uM incubated for 30 mins by DNA gel electrophoresis ChEMBL. 25240702

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25240702

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.

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