Detailed information for compound 458147

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.472 | Formula: C24H24N4O4
  • H donors: 0 H acceptors: 3 LogP: 4.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CC(=[N+](C1c1ccc(cc1)N(C)C)[O-])c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C24H24N4O4/c1-25(2)19-8-6-18(7-9-19)24-26(20-12-14-22(32-3)15-13-20)16-23(27(24)29)17-4-10-21(11-5-17)28(30)31/h4-15,24H,16H2,1-3H3
  • InChiKey: JMGRHSLEUYSYHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0019 0.0331 0.0452
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.2338 0.8814
Onchocerca volvulus Netrin receptor homolog 0.0007 0.0066 0.0132
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Brugia malayi Death domain containing protein 0.0007 0.0066 0.0091
Loa Loa (eye worm) hypothetical protein 0.0046 0.0926 0.1266
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.002 0.0351 0.04
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0005 0.0002 0.0002
Brugia malayi Pre-SET motif family protein 0.0108 0.2319 0.3169
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0019 0.0331 0.0452
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0019 0.0331 0.0376
Schistosoma mansoni hypothetical protein 0.0007 0.0066 0.0091
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0006 0.0028 0.0533
Loa Loa (eye worm) retinol dehydrogenase 12 0.0019 0.0331 0.0452
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Trichomonas vaginalis CMGC family protein kinase 0.0026 0.0492 0.1853
Loa Loa (eye worm) RecQ helicase 0.0011 0.0147 0.0201
Brugia malayi Immunoglobulin I-set domain containing protein 0.0007 0.0066 0.0091
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0019 0.0331 0.0452
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.002 0.0351 0.048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.0246 0.0337
Echinococcus granulosus carbonic anhydrase 0.002 0.0351 0.048
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0492 0.0672
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0007 0.0066 0.0091
Echinococcus granulosus carbonic anhydrase 0.002 0.0351 0.048
Echinococcus multilocularis mitogen activated protein kinase 0.0026 0.0492 0.0672
Brugia malayi Putative carbonic anhydrase 5 precursor 0.002 0.0351 0.048
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0026 0.0492 0.0559
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0006 0.0028 0.0105
Mycobacterium tuberculosis Possible oxidoreductase 0.0019 0.0331 0.0452
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0067 0.141 0.1927
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0019 0.0331 0.0452
Echinococcus granulosus dihydrofolate reductase 0.0331 0.7317 1
Trypanosoma brucei protein kinase, putative 0.0026 0.0492 0.0495
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0002 0.0002
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0019 0.0331 0.0452
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Echinococcus granulosus bloom syndrome protein 0.0011 0.0147 0.0201
Toxoplasma gondii redoxin domain-containing protein 0.0065 0.1362 0.1548
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.0246 0.0337
Schistosoma mansoni dihydropteridine reductase 0.0019 0.0331 0.0452
Brugia malayi Dihydrofolate reductase 0.0331 0.7317 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0397 0.8796 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0331 0.7317 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0068 0.0093
Loa Loa (eye worm) hypothetical protein 0.0015 0.0246 0.0337
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0015 0.0246 0.028
Trichomonas vaginalis set domain proteins, putative 0.0123 0.2653 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0006 0.0037 0.005
Schistosoma mansoni DNA helicase recq1 0.0005 0.0002 0.0002
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0005 0.0002 0.0002
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0019 0.0331 0.0376
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Trichomonas vaginalis CMGC family protein kinase 0.0026 0.0492 0.1853
Echinococcus granulosus Ankyrin 0.0008 0.0068 0.0093
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0006 0.0028 0.0032
Schistosoma mansoni hypothetical protein 0.002 0.0351 0.048
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0229 0.5026 0.6869
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0015 0.0234 0.0319
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0006 0.0037 0.005
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.002 0.0351 0.048
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0019 0.0331 0.0452
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0026 0.0492 0.0559
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0026 0.0492 0.0492
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0022 0.0397 0.0543
Onchocerca volvulus 0.0019 0.0331 0.0658
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0006 0.0032 0.0036
Echinococcus multilocularis carbonic anhydrase II 0.002 0.0351 0.048
Echinococcus multilocularis carbonic anhydrase 0.002 0.0351 0.048
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.002 0.0351 0.048
Loa Loa (eye worm) hypothetical protein 0.0009 0.0097 0.0133
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0007 0.0065 0.0074
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.002 0.0351 0.048
Loa Loa (eye worm) oxidoreductase 0.0019 0.0331 0.0452
Mycobacterium ulcerans thiol peroxidase 0.0017 0.0273 0.0373
Brugia malayi Pre-SET motif family protein 0.0015 0.0246 0.0337
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0019 0.0331 0.0333
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Leishmania major biopterin transporter, putative;with=GeneDB:LinJ35_V3.5120 0.034 0.7523 0.7523
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.002 0.0351 0.048
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0162 0.0222
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0063 0.131 0.179
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0331 0.7317 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0026 0.0492 0.0559
Plasmodium falciparum 1-cys peroxiredoxin 0.0065 0.1362 0.1546
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0007 0.0066 0.0091
Trypanosoma brucei oxidoreductase-like protein 0.0022 0.0397 0.04
Loa Loa (eye worm) hypothetical protein 0.002 0.0351 0.048
Echinococcus granulosus death domain containing protein 0.0007 0.0066 0.0091
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0006 0.0028 0.0038
Giardia lamblia Kinase, CMGC MAPK 0.0026 0.0492 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0108 0.2319 0.3169
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.002 0.0351 0.048
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Mycobacterium ulcerans thymidylate synthase 0.0229 0.5026 0.6869
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0019 0.0331 0.0452
Schistosoma mansoni dihydrofolate reductase 0.0331 0.7317 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0015 0.0246 0.0337
Schistosoma mansoni ankyrin 23/unc44 0.0007 0.0066 0.0091
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0006 0.0028 0.0028
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Schistosoma mansoni blooms syndrome DNA helicase 0.0009 0.0095 0.013
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0229 0.5026 0.6869
Brugia malayi Uncoordinated protein 44 0.0007 0.0066 0.0091
Chlamydia trachomatis dihydrofolate reductase 0.0331 0.7317 1
Onchocerca volvulus 0.0006 0.0028 0.0055
Leishmania major oxidoreductase-like protein 0.0022 0.0397 0.0397
Brugia malayi Cytochrome P450 family protein 0.0012 0.0162 0.0222
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Mycobacterium tuberculosis Probable thiol peroxidase Tpx 0.0017 0.0273 0.0373
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0026 0.0492 0.0559
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0052 0.1063 0.1048
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0026 0.0492 0.0559
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0397 0.8796 0.8796
Echinococcus granulosus netrin receptor unc 5 0.0007 0.0066 0.0091
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0147 0.0556
Echinococcus multilocularis carbonic anhydrase 0.002 0.0351 0.048
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0006 0.0028 0.0032
Toxoplasma gondii hypothetical protein 0.002 0.0351 0.04
Trypanosoma brucei pteridine reductase 1 0.0448 0.9933 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.0246 0.0337
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0006 0.0028 0.0038
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0006 0.0032 0.0032
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0229 0.5026 0.6748
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Trichomonas vaginalis peroxiredoxin, putative 0.0017 0.0273 0.1029
Leishmania major carbonic anhydrase-like protein 0.002 0.0351 0.0351
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0006 0.0028 0.0038
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0019 0.0331 0.0452
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0008 0.0068 0.0093
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0006 0.0028 0.0038
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0137 0.296 0.3815
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0019 0.0331 0.0452
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.002 0.0351 0.048
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Echinococcus granulosus thymidylate synthase 0.0229 0.5026 0.6869
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.0246 0.0337
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0019 0.0331 0.0452
Trichomonas vaginalis CMGC family protein kinase 0.0026 0.0492 0.1853
Echinococcus granulosus mitogen activated protein kinase 0.0026 0.0492 0.0672
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0006 0.0032 0.0032
Trypanosoma brucei carbonic anhydrase-like protein 0.002 0.0351 0.0354
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0019 0.0331 0.0452
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.002 0.0351 0.04
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0019 0.0331 0.0452
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0109 0.2338 0.2659
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0005 0.0002 0.0002
Schistosoma mansoni netrin receptor unc5 0.0007 0.0066 0.0091
Echinococcus multilocularis thymidylate synthase 0.0229 0.5026 0.6869
Trichomonas vaginalis peroxiredoxin, putative 0.0017 0.0273 0.1029
Entamoeba histolytica recQ family helicase, putative 0.0006 0.0032 0.0133
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0019 0.0331 0.0452
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.002 0.0351 0.048
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0397 0.8796 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0019 0.0331 0.0452
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0019 0.0331 0.0082
Echinococcus granulosus mitogen activated protein kinase 3 0.0026 0.0492 0.0672
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0019 0.0331 0.0376
Trichomonas vaginalis peroxiredoxin, putative 0.0017 0.0273 0.1029
Plasmodium falciparum enoyl-acyl carrier reductase 0.0019 0.0331 0.0374
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0019 0.0331 0.0331
Mycobacterium tuberculosis Possible oxidoreductase 0.0019 0.0331 0.0452
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0022 0.0397 0.0452
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0026 0.0492 0.0492
Mycobacterium ulcerans short chain dehydrogenase 0.0022 0.0397 0.0543
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0019 0.0331 0.0452
Mycobacterium ulcerans oxidoreductase 0.0019 0.0331 0.0452
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0137 0.296 0.4046
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0006 0.0028 0.0038
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.002 0.0351 0.048
Loa Loa (eye worm) hypothetical protein 0.0007 0.0066 0.0091
Onchocerca volvulus 0.0123 0.2654 0.5281
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0019 0.0331 1
Brugia malayi hypothetical protein 0.0109 0.2338 0.3196
Onchocerca volvulus 0.0022 0.0397 0.079
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0002 0.0002
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0019 0.0331 0.0452
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0019 0.0331 0.0331
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.002 0.0351 0.048
Schistosoma mansoni carbonic anhydrase 0.002 0.0351 0.048
Loa Loa (eye worm) hypothetical protein 0.002 0.0351 0.048
Mycobacterium tuberculosis Soluble secreted antigen Mpt53 precursor 0.0017 0.0273 0.0373
Echinococcus multilocularis dihydrofolate reductase 0.0331 0.7317 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0015 0.0246 0.0337
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0038 0.0755 0.1032
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Plasmodium vivax SET domain protein, putative 0.0015 0.0246 0.0249
Echinococcus multilocularis netrin receptor unc 5 0.0007 0.0066 0.0091
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0397 0.8796 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0022 0.0397 0.0452
Loa Loa (eye worm) thymidylate synthase 0.0229 0.5026 0.6869
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0019 0.0331 0.0345
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0007 0.0066 0.0091
Brugia malayi dihydrofolate reductase family protein 0.0331 0.7317 1
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0137 0.296 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0022 0.0397 0.0543
Onchocerca volvulus 0.0015 0.0246 0.049
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0019 0.0331 0.0345
Echinococcus granulosus carbonic anhydrase II 0.002 0.0351 0.048
Loa Loa (eye worm) hypothetical protein 0.002 0.0351 0.048
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0019 0.0331 0.0376
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0006 0.0028 0.0038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0015 0.0246 0.0337
Loa Loa (eye worm) hypothetical protein 0.0069 0.1447 0.1978
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Loa Loa (eye worm) hypothetical protein 0.0006 0.0028 0.0038
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0007 0.0067 0.0045
Mycobacterium tuberculosis Hypothetical protein 0.0109 0.2338 0.3196
Schistosoma mansoni carbonic anhydrase-related 0.002 0.0351 0.048
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0006 0.0028 0.0028
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0019 0.0331 0.0082
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0019 0.0331 0.0376
Echinococcus multilocularis mitogen activated protein kinase 3 0.0026 0.0492 0.0672
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0019 0.0331 0.0374
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0022 0.0397 0.0543
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Schistosoma mansoni DNA helicase recq5 0.0005 0.0002 0.0002
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0137 0.296 0.4046
Trichomonas vaginalis hypothetical protein 0.0019 0.0331 0.1247
Echinococcus granulosus nuclear factor of activated T cells 5 0.0038 0.0755 0.1032
Loa Loa (eye worm) carbonic anhydrase 3 0.002 0.0351 0.048
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0006 0.0028 0.003
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0397 0.8796 1
Brugia malayi Protein kinase domain containing protein 0.0008 0.0072 0.0098
Echinococcus granulosus carbonic anhydrase 0.002 0.0351 0.048
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0002 0.0002
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0026 0.0492 0.0495
Plasmodium vivax peroxiredoxin, putative 0.0065 0.1362 0.1521
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0005 0.0002 0.0002
Schistosoma mansoni carbonic anhydrase-related 0.002 0.0351 0.048
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.001 0.0117 0.0131
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0026 0.0492 0.0672
Loa Loa (eye worm) dihydrofolate reductase 0.0331 0.7317 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0022 0.0397 0.0543
Mycobacterium tuberculosis Probable conserved lipoprotein DsbF 0.0017 0.0273 0.0373
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0006 0.0028 0.0032
Plasmodium falciparum carbonic anhydrase 0.002 0.0351 0.0398
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Trichomonas vaginalis CMGC family protein kinase 0.0026 0.0492 0.1853
Echinococcus multilocularis Ankyrin 0.0008 0.0068 0.0093
Brugia malayi Bloom's syndrome protein homolog 0.0011 0.0147 0.0201
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0052 0.1063 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0019 0.0331 0.0452
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0002 0.0002
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0019 0.0331 0.0452
Brugia malayi thymidylate synthase 0.0229 0.5026 0.6869
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0019 0.0331 0.0331
Trichomonas vaginalis DNA helicase recq1, putative 0.0011 0.0147 0.0556
Schistosoma mansoni carbonic anhydrase-related 0.002 0.0351 0.048
Trichomonas vaginalis DNA helicase recq, putative 0.0006 0.0032 0.012
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0019 0.0331 0.0452
Loa Loa (eye worm) hypothetical protein 0.0019 0.0331 0.0452
Echinococcus multilocularis carbonic anhydrase 0.002 0.0351 0.048
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0019 0.0331 0.0082
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0331 0.7317 1
Echinococcus multilocularis bloom syndrome protein 0.0011 0.0147 0.0201
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0019 0.0331 0.0452
Mycobacterium ulcerans short chain dehydrogenase 0.0019 0.0331 0.0452
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0044 0.0889 0.1216
Brugia malayi MAP kinase sur-1 0.0026 0.0492 0.0672
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0005 0.0002 0.0002
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0397 0.8796 0.8855
Onchocerca volvulus 0.0229 0.5026 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 40.4 % Nootropic effect in Albino mouse assessed as decrease in transfer latency at 75 mg/kg, po after 24 hrs by elevated plus maze test ChEMBL. 17643300
Activity (functional) = 40.4 % Nootropic effect in Albino mouse assessed as decrease in transfer latency at 75 mg/kg, po after 24 hrs by elevated plus maze test ChEMBL. 17643300
LogP = 2.32 Partition coefficient, log P of the compound ChEMBL. 17643300

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

1 literature reference was collected for this gene.

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