Detailed information for compound 1287237

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 232.278 | Formula: C13H16N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1c(=O)[nH]n(c1O)c1ccccc1
  • InChi: 1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,17H,2-3,9H2,1H3,(H,14,16)
  • InChiKey: WAHZTCMIILIOTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
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
Schistosoma mansoni importin beta-1 0.0029 0.0296 0.0296
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.01 0.01
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0625 0.087
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.01 0.0741
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.1123 0.1616
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.2619 0.7319
Brugia malayi Pre-SET motif family protein 0.0252 0.5975 1
Schistosoma mansoni alpha-glucosidase 0.0141 0.3134 0.3134
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.1921 0.2561
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.01 0.0886
Brugia malayi calpain family protein 1 0.0065 0.1197 0.2004
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0487 0.4331
Trypanosoma brucei histone deacetylase 1 0.0062 0.1123 0.1564
Echinococcus multilocularis calpain 7 (C02 family) 0.0019 0.0041 0.0041
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.086 0.1197
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0155 0.0201
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.1921 0.3215
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0475 0.0669
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.1123 1
Trypanosoma brucei glucosidase, putative 0.0036 0.0475 0.0661
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Schistosoma mansoni ran 0.0021 0.01 0.01
Giardia lamblia Histone deacetylase 0.0062 0.1123 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0155 0.0201
Schistosoma mansoni lipoxygenase 0.01 0.209 0.209
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0041 0.0041
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.1123 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0475 0.0634
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0134 0.2962 0.8282
Schistosoma mansoni rab6-interacting 0.0024 0.0159 0.0159
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0041 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0487 0.0487
Brugia malayi hypothetical protein 0.0036 0.0471 0.0788
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.7185 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0018 0.0025
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0068 0.1281 0.1281
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3164 0.4404
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.1281 0.1281
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0475 0.4009
Brugia malayi RNA binding protein 0.0136 0.3016 0.5048
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0068 0.1281 0.1281
Schistosoma mansoni hypothetical protein 0.0036 0.0471 0.0471
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0018 0.0025
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0159 0.1411
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.7185 1
Leishmania major histone deacetylase, putative 0.0062 0.1123 0.1564
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0296 0.0296
Brugia malayi TAR-binding protein 0.0136 0.3016 0.5048
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1921 0.1921
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1141 0.1141
Entamoeba histolytica hypothetical protein 0.0036 0.0471 0.3968
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0041 0.0057
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.2278 0.3813
Loa Loa (eye worm) calpain 0.0019 0.0041 0.0055
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0159 0.0159
Leishmania major kinesin, putative 0.0019 0.0041 0.0057
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0475 0.0475
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0065 0.1197 0.1596
Schistosoma mansoni hypothetical protein 0.0024 0.0159 0.0159
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3016 0.3016
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.3713 0.3713
Echinococcus multilocularis calpain 0.0019 0.0041 0.0041
Mycobacterium tuberculosis Probable oxidoreductase 0.0134 0.2962 0.8282
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.0943
Echinococcus multilocularis histone deacetylase 1 0.0062 0.1123 0.1123
Echinococcus multilocularis cpg binding protein 0.003 0.0327 0.0327
Brugia malayi calpain 7 0.0019 0.0041 0.0069
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0896 0.0896
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3016 0.3016
Plasmodium vivax importin-beta 2, putative 0.0029 0.0296 0.2635
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.0708 0.0708
Leishmania major GTP-binding protein, putative 0.0021 0.01 0.0139
Schistosoma mansoni ran 0.0021 0.01 0.01
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0312 0.7499 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0487 0.0649
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0159 0.1411
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0159 0.0159
Trypanosoma brucei kinesin, putative 0.0019 0.0041 0.0057
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.01 0.0886
Onchocerca volvulus 0.0048 0.0779 0.1136
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0065 0.1197 0.1197
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0475 0.0669
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3016 0.3016
Trypanosoma brucei antigen, putative 0.0019 0.0041 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1921 0.1921
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0041 0.0057
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0159 0.0159
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0018 0.0025
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0475 0.0661
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0041 0.0057
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.01 0.0133
Schistosoma mansoni rab6-interacting 0.0024 0.0159 0.0159
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0041 0.0057
Echinococcus granulosus RUN 0.0024 0.0159 0.0159
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0018 0.0157
Plasmodium falciparum glutathione reductase 0.0053 0.0896 0.798
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0159 0.0211
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.1123 0.1616
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.5975 0.7967
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.2619 0.7319
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0018 0.0018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1921 0.1921
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.2619 0.7319
Plasmodium vivax histone deacetylase 1, putative 0.0062 0.1123 1
Schistosoma mansoni hypothetical protein 0.0073 0.1415 0.1415
Echinococcus granulosus tar DNA binding protein 0.0136 0.3016 0.3016
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0159 0.0159
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0414 0.0693
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0041 0.0041
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0018 0.0025
Toxoplasma gondii hypothetical protein 0.0048 0.0783 0.6968
Echinococcus granulosus calpain A 0.0068 0.1281 0.1281
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.3713 0.4952
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0065 0.1197 0.1596
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0041 0.0057
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.1281 0.1281
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0625 0.087
Schistosoma mansoni histone deacetylase 0.0062 0.1123 0.1123
Echinococcus granulosus calpain 5 0.0019 0.0041 0.0041
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1921 0.1921
Schistosoma mansoni hypothetical protein 0.0034 0.0414 0.0414
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0159 0.0159
Entamoeba histolytica hypothetical protein 0.0036 0.0471 0.3968
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0475 0.0669
Onchocerca volvulus 0.0024 0.0159 0.0231
Mycobacterium ulcerans hypothetical protein 0.0158 0.3572 1
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0018 0.0025
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.1123 0.1616
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0018 0.0025
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0155 0.0201
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.2278 0.3038
Onchocerca volvulus 0.0029 0.0285 0.0416
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0475 0.0669
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Schistosoma mansoni alpha-glucosidase 0.0141 0.3134 0.3134
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0487 0.0487
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.3016 0.4022
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0475 0.4229
Schistosoma mansoni hypothetical protein 0.0034 0.0414 0.0414
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.1123 0.1616
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0041 0.0057
Loa Loa (eye worm) hypothetical protein 0.0024 0.0159 0.0211
Echinococcus granulosus GPCR family 2 0.0034 0.0414 0.0414
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0475 0.0669
Plasmodium falciparum histone deacetylase 1 0.0062 0.1123 1
Loa Loa (eye worm) TAR-binding protein 0.0136 0.3016 0.4022
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0019 0.0041 0.0057
Schistosoma mansoni calpain (C02 family) 0.0019 0.0041 0.0041
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0018 0.003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.3572 1
Brugia malayi Thioredoxin reductase 0.0053 0.0896 0.15
Schistosoma mansoni hypothetical protein 0.0034 0.0414 0.0414
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0018 0.0025
Schistosoma mansoni cpg binding protein 0.003 0.0327 0.0327
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0159 0.0159
Brugia malayi calpain 5 0.0019 0.0041 0.0069
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0625 0.087
Echinococcus granulosus calpain 0.0019 0.0041 0.0041
Echinococcus granulosus tumor protein p63 0.0329 0.7937 0.7937
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0019 0.0041 0.0057
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.01 0.0139
Plasmodium vivax glutathione reductase, putative 0.0053 0.0896 0.798
Echinococcus multilocularis RUN 0.0024 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0107 0.2278 0.3038
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0018 0.0157
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Brugia malayi hypothetical protein 0.0024 0.0159 0.0265
Loa Loa (eye worm) hypothetical protein 0.0048 0.0779 0.1039
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0018 0.0157
Trypanosoma cruzi kinesin, putative 0.0019 0.0041 0.0057
Onchocerca volvulus 0.0045 0.0708 0.1031
Loa Loa (eye worm) hypothetical protein 0.0034 0.0414 0.0552
Schistosoma mansoni calpain C (C02 family) 0.0019 0.0041 0.0041
Trypanosoma brucei calpain-like protein, putative 0.0019 0.0041 0.0057
Plasmodium vivax calpain, putative 0.0019 0.0041 0.0367
Entamoeba histolytica hypothetical protein 0.0024 0.0155 0.1054
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0018 0.5
Entamoeba histolytica Ran family GTPase 0.0021 0.01 0.0538
Loa Loa (eye worm) glutathione reductase 0.0053 0.0896 0.1195
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.1123 0.1498
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0018 0.0157
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3016 0.3016
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0896 0.0896
Loa Loa (eye worm) calpain family protein 1 0.0065 0.1197 0.1596
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.2619 0.7319
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.2278 0.3813
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0018 0.0157
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3164 0.4404
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1921 0.1921
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0018 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0487 0.0487
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.3016 0.5048
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0487 0.0487
Trichomonas vaginalis set domain proteins, putative 0.0287 0.686 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0414 0.0414
Plasmodium falciparum thioredoxin reductase 0.0053 0.0896 0.798
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0414 0.0414
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0475 0.0669
Brugia malayi RNA, U transporter 1 0.0083 0.1669 0.2793
Echinococcus granulosus calpain A 0.0019 0.0041 0.0041
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.2619 0.7319
Brugia malayi Pre-SET motif family protein 0.0037 0.0487 0.0814
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0414 0.0414
Brugia malayi hypothetical protein 0.0024 0.0159 0.0265
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0475 0.0661
Echinococcus multilocularis calpain A 0.0068 0.1281 0.1281
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0487 0.0487
Echinococcus multilocularis snurportin 1 0.0312 0.7499 0.7499
Loa Loa (eye worm) calpain 5 0.0019 0.0041 0.0055
Leishmania major trypanothione reductase 0.0053 0.0896 0.1248
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0019 0.0041 0.0057
Loa Loa (eye worm) RNA binding protein 0.0136 0.3016 0.4022
Mycobacterium tuberculosis Probable reductase 0.012 0.2619 0.7319
Toxoplasma gondii thioredoxin reductase 0.0053 0.0896 0.798
Echinococcus multilocularis tar DNA binding protein 0.0136 0.3016 0.3016
Loa Loa (eye worm) hypothetical protein 0.0073 0.1415 0.1887
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0475 0.0475
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0896 0.1195
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.3182 0.3182
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.01 0.0886
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.3164 0.4404
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.01 0.0139
Brugia malayi calpain family protein 1 0.0065 0.1197 0.2004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0708 0.0943
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.1123 0.1616
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.3713 0.6215
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0475 0.0669
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0625 0.087
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.01 0.01
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0975 0.8681
Schistosoma mansoni hypothetical protein 0.0034 0.0414 0.0414
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0018 0.0025
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.1123 0.1616
Trypanosoma brucei trypanothione reductase 0.0053 0.0896 0.1248
Schistosoma mansoni histone deacetylase 0.0062 0.1123 0.1123
Plasmodium falciparum importin beta, putative 0.0029 0.0296 0.2635
Loa Loa (eye worm) hypothetical protein 0.0029 0.0296 0.0395
Leishmania major histone deacetylase, putative 0.0062 0.1123 0.1564
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0471 0.0471
Leishmania major importin beta-1 subunit, putative 0.0024 0.0155 0.0216
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0134 0.2962 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0475 0.0661
Schistosoma mansoni cpg binding protein 0.0029 0.0285 0.0285
Echinococcus granulosus importin subunit beta 1 0.0029 0.0296 0.0296
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0018 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.1123 0.1616
Schistosoma mansoni loxhd1 0.0024 0.0159 0.0159
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0475 0.0795
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.01 0.0167
Plasmodium vivax SET domain protein, putative 0.0037 0.0487 0.4331
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Schistosoma mansoni polycystin 1-related 0.0024 0.0159 0.0159
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0414 0.0414
Schistosoma mansoni Mername-AA248 (C02 family) 0.0019 0.0041 0.0041
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0487 0.0487
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3016 0.3016
Echinococcus granulosus histone deacetylase 1 0.0062 0.1123 0.1123
Echinococcus granulosus cpg binding protein 0.003 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0062 0.1123 0.1498
Entamoeba histolytica hypothetical protein 0.0036 0.0471 0.3968
Schistosoma mansoni hypothetical protein 0.0312 0.7499 0.7499
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0471 0.0471
Echinococcus multilocularis calpain 5 0.0019 0.0041 0.0041
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0134 0.2962 0.8282
Trypanosoma cruzi kinesin, putative 0.0019 0.0041 0.0057
Loa Loa (eye worm) hypothetical protein 0.0024 0.0159 0.0211
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.1123 0.188
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0155 0.0216
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0018 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0437 0.0437
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0896 0.2472
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0475 0.0669
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.1123 0.1498
Plasmodium falciparum glutathione reductase 0.0018 0.0018 0.0157
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.3713 0.3713
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1415 0.2369
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0296 0.2635
Schistosoma mansoni alpha glucosidase 0.0036 0.0475 0.0475
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.01 0.0139
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0296 0.0412
Brugia malayi Importin beta-1 subunit 0.0029 0.0296 0.0496
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.7185 1
Plasmodium falciparum thioredoxin reductase 0.0018 0.0018 0.0157
Onchocerca volvulus 0.0024 0.0159 0.0231
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0018 0.0025
Echinococcus granulosus calpain 7 C02 family 0.0019 0.0041 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0487 0.0487
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1921 0.1921
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0475 0.0669
Brugia malayi Histone deacetylase 1 0.0062 0.1123 0.188
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.1123 0.188
Echinococcus multilocularis hypothetical protein 0.0019 0.0041 0.0041
Schistosoma mansoni lipoxygenase 0.0142 0.3182 0.3182
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0475 0.4009
Echinococcus multilocularis tumor protein p63 0.0329 0.7937 0.7937
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.1123 0.1564
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.1123 0.1616
Echinococcus multilocularis histone deacetylase 3 0.0062 0.1123 0.1123
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0296 0.0412
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0779 0.0779
Loa Loa (eye worm) calpain family protein 1 0.0045 0.0708 0.0943
Brugia malayi Doublecortin family protein 0.0024 0.0159 0.0265
Brugia malayi CXXC zinc finger family protein 0.0029 0.0285 0.0477
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0285 0.038
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0414 0.0693
Schistosoma mansoni cpg binding protein 0.003 0.0327 0.0327
Onchocerca volvulus 0.0037 0.0487 0.0709
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.3182 0.3182
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0414 0.0552
Onchocerca volvulus 0.0287 0.686 1
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0896 0.1248
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0018 0.0157
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1921 0.1921
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.1123 0.1564
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.3713 0.3713
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.7185 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0018 0.0025
Trichomonas vaginalis ran, putative 0.0021 0.01 0.012
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.1123 0.1616
Treponema pallidum NADH oxidase 0.0018 0.0018 0.5
Onchocerca volvulus 0.0094 0.1959 0.2855
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0019 0.0041 0.0057
Entamoeba histolytica hypothetical protein 0.0036 0.0471 0.3968
Entamoeba histolytica histone deacetylase, putative 0.0062 0.1123 1
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0896 0.798
Echinococcus granulosus snurportin 1 0.0312 0.7499 0.7499
Echinococcus multilocularis GPCR, family 2 0.0034 0.0414 0.0414
Echinococcus granulosus histone deacetylase 3 0.0062 0.1123 0.1123
Brugia malayi glutathione reductase 0.0053 0.0896 0.15

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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