Detailed information for compound 1288314

Basic information

Technical information
  • TDR Targets ID: 1288314
  • Name: STOCK1N-42268
  • MW: 503.55 | Formula: C27H29N5O5
  • H donors: 1 H acceptors: 2 LogP: 1.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(CCNC(=O)c2cc3c(n(c2=N)CC2CCCO2)nc2n(c3=O)cccc2)ccc1OC
  • InChi: 1S/C27H29N5O5/c1-35-21-9-8-17(14-22(21)36-2)10-11-29-26(33)19-15-20-25(30-23-7-3-4-12-31(23)27(20)34)32(24(19)28)16-18-6-5-13-37-18/h3-4,7-9,12,14-15,18,28H,5-6,10-11,13,16H2,1-2H3,(H,29,33)
  • InChiKey: DKONDWKMQBULON-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

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus muscleblind 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis muscleblind protein 1 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
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus g protein coupled receptor 0.0131 0.1351 0.1349
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0025 0.0187 0.0268
Plasmodium falciparum amino acid transporter, putative 0.0178 0.187 0.4486
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0411 0.0856
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0178 0.187 0.1869
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0563 0.0545
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.008 0.0153
Loa Loa (eye worm) oxidoreductase 0.0025 0.0187 0.0186
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.008 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0492 0.1032
Plasmodium vivax glutathione reductase, putative 0.0046 0.0411 0.0828
Leishmania major oxidoreductase-like protein 0.0025 0.0187 0.0277
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Schistosoma mansoni dihydropteridine reductase 0.0025 0.0187 0.0169
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0187 0.0417
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Onchocerca volvulus 0.0131 0.1351 0.6913
Toxoplasma gondii hypothetical protein 0.0059 0.0556 0.1192
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0187 0.0417
Plasmodium vivax amine transporter, putative 0.0178 0.187 0.4486
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.008 0.0062
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1058 0.2565
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0178 0.187 0.1869
Plasmodium falciparum thioredoxin reductase 0.0046 0.0411 0.0828
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0178 0.187 0.1855
Loa Loa (eye worm) hypothetical protein 0.0025 0.0187 0.0186
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0076 0.0076
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1186 0.2883
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.008 0.0153
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0377 0.407 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.187
Trichomonas vaginalis hypothetical protein 0.0377 0.407 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.4486
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0076 0.0074
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.1869
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1058 0.2565
Onchocerca volvulus 0.0178 0.187 1
Echinococcus granulosus GPCR family 2 0.0015 0.0076 0.0074
Brugia malayi hypothetical protein 0.0178 0.187 0.187
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1058 0.2565
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0178 0.187 0.1869
Echinococcus granulosus 7tm_1 domain containing protein 0.0133 0.1376 0.1375
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Trypanosoma brucei oxidoreductase-like protein 0.0025 0.0187 0.0277
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0025 0.0187 0.0417
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0178 0.187 0.1855
Leishmania major pteridine reductase 1 0.0025 0.0187 0.0277
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0187 0.0417
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Brugia malayi Thioredoxin reductase 0.0046 0.0411 0.0411
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0178 0.187 0.1855
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1058 0.2565
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0377 0.407 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0187 0.0187
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.008 0.0153
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0178 0.187 0.1855
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0417 0.0416
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.008 0.008
Echinococcus multilocularis GPCR, family 2 0.0015 0.0076 0.0074
Loa Loa (eye worm) solute carrier family 6 member 4 0.0178 0.187 0.1869
Echinococcus multilocularis muscleblind protein 1 0.018 0.19 0.1899
Brugia malayi Muscleblind-like protein 0.018 0.19 0.19
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0076 0.0074
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0187 0.0417
Echinococcus granulosus serotonin transporter 0.0178 0.187 0.1869
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0377 0.407 1
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0025 0.0187 0.0417
Echinococcus multilocularis serotonin transporter 0.0178 0.187 0.1869
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.008 0.0153
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0178 0.187 0.1855
Onchocerca volvulus 0.0178 0.187 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0025 0.0187 0.0417
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3939 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0215 0.0214
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0473 0.1016
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.203 0.4965
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0411 0.0828
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1814 0.4494
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0025 0.0187 0.0186
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1186 0.2883
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0178 0.187 0.1855
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.4318 0.4317
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.008 0.0153
Loa Loa (eye worm) norepinephrine transporter 0.0178 0.187 0.1869
Mycobacterium ulcerans hypothetical protein 0.0192 0.203 0.4965
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0377 0.407 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Plasmodium vivax hypothetical protein, conserved 0.0178 0.187 0.4486
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1186 0.2883
Schistosoma mansoni hypothetical protein 0.0205 0.2169 0.2154
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.008 0.0079
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0034 0.0034
Brugia malayi CXXC zinc finger family protein 0.0028 0.0215 0.0215
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0025 0.0187 0.0268
Mycobacterium tuberculosis Probable reductase 0.0104 0.1058 0.2565
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3939 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0187 0.0277
Echinococcus granulosus expressed protein 0.001 0.0019 0.0017
Trypanosoma brucei pteridine reductase 1 0.0025 0.0187 0.0277
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Schistosoma mansoni sodium-dependent amino acid transporter 0.0178 0.187 0.1855
Mycobacterium ulcerans oxidoreductase 0.0025 0.0187 0.0417
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Echinococcus granulosus ferritin 0.001 0.0019 0.0017
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.008 0.0079
Schistosoma mansoni hypothetical protein 0.0205 0.2169 0.2154
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0025 0.0187 0.0417
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Echinococcus multilocularis cpg binding protein 0.003 0.0233 0.0232
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.4486
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0178 0.187 0.1855
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0025 0.0187 0.0268
Loa Loa (eye worm) hypothetical protein 0.0015 0.0076 0.0074
Toxoplasma gondii thioredoxin reductase 0.0046 0.0411 0.0828
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0443 0.0443
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0178 0.187 0.1869
Schistosoma mansoni hypothetical protein 0.0015 0.0076 0.0057
Echinococcus granulosus geminin 0.0205 0.2169 0.2168
Echinococcus multilocularis ferritin 0.001 0.0019 0.0017
Brugia malayi glutathione reductase 0.0046 0.0411 0.0411
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0025 0.0187 0.0186
Echinococcus granulosus dnaJ subfamily B 0.0399 0.4318 0.4317
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0411 0.0409
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0417 0.0416
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0411 0.0968
Schistosoma mansoni cpg binding protein 0.003 0.0233 0.0215
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0473 0.1016
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.187
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0187 0.0277
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0076 0.0074
Toxoplasma gondii hypothetical protein 0.0178 0.187 0.4486
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0187 0.0277
Leishmania major trypanothione reductase 0.0046 0.0411 0.0856
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.018 0.19 0.1899
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0597 0.1338
Schistosoma mansoni hypothetical protein 0.0015 0.0076 0.0057
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0025 0.0187 0.0268
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0076 0.0076
Plasmodium falciparum transporter, putative 0.0178 0.187 0.4486
Echinococcus multilocularis g protein coupled receptor 0.0131 0.1351 0.1349
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Loa Loa (eye worm) serotonin transporter b 0.0178 0.187 0.1869
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.008 0.0153
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Onchocerca volvulus 0.0028 0.0215 0.0165
Schistosoma mansoni cpg binding protein 0.0028 0.0215 0.0197
Echinococcus multilocularis expressed protein 0.001 0.0019 0.0017
Echinococcus granulosus cpg binding protein 0.003 0.0233 0.0232
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0025 0.0187 0.0417
Trypanosoma brucei trypanothione reductase 0.0046 0.0411 0.0856
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0025 0.0187 0.0417
Schistosoma mansoni hypothetical protein 0.0015 0.0076 0.0057
Loa Loa (eye worm) hypothetical protein 0.0049 0.0443 0.0442
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0033 0.0273 0.0272
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Plasmodium falciparum glutathione reductase 0.0046 0.0411 0.0828
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0178 0.187 0.1855
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1814 0.4494
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1814 0.4494
Schistosoma mansoni hypothetical protein 0.0033 0.0273 0.0255
Loa Loa (eye worm) hypothetical protein 0.0178 0.187 0.1869
Treponema pallidum NADH oxidase 0.0016 0.008 0.0334
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0178 0.187 0.1869
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.008 0.0153
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0443 0.0443
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0034 0.0034
Mycobacterium tuberculosis Probable oxidoreductase 0.0025 0.0187 0.0417
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.4486
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0377 0.407 1
Echinococcus multilocularis geminin 0.0205 0.2169 0.2168
Loa Loa (eye worm) glutathione reductase 0.0046 0.0411 0.0409
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0178 0.187 0.1855
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0187 0.0417
Plasmodium falciparum enoyl-acyl carrier reductase 0.0377 0.407 1
Toxoplasma gondii hypothetical protein 0.0178 0.187 0.4486
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Treponema pallidum sodium- and chloride- dependent transporter 0.0178 0.187 1
Schistosoma mansoni hypothetical protein 0.0399 0.4318 0.4307
Schistosoma mansoni cpg binding protein 0.003 0.0233 0.0215
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0187 0.0277
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0025 0.0187 0.0169
Onchocerca volvulus 0.0178 0.187 1
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1058 0.2565
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0473 0.1016
Onchocerca volvulus 0.0178 0.187 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3939 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0025 0.0187 0.0277
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0025 0.0187 0.0268
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0025 0.0187 0.0417
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0178 0.187 0.187
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0025 0.0187 0.0277
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0178 0.187 0.187
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.008 0.0153
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0178 0.187 0.4486
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0025 0.0187 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.1351 0.1349
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0377 0.407 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0178 0.187 0.1869
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0076 0.0074
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0025 0.0187 0.0186
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0025 0.0187 0.0417
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0025 0.0187 0.0417
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3939 1
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Loa Loa (eye worm) hypothetical protein 0.018 0.19 0.1899
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0377 0.407 1
Schistosoma mansoni hypothetical protein 0.0015 0.0076 0.0057
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0473 0.1016
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0187 0.0417
Chlamydia trachomatis oxoacy-ACP reductase 0.0025 0.0187 0.0268
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0178 0.187 0.1869
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0025 0.0187 0.0417
Echinococcus multilocularis muscleblind protein 0.018 0.19 0.1899
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0025 0.0187 0.0417
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0076 0.0074
Echinococcus granulosus muscleblind protein 0.018 0.19 0.1899
Schistosoma mansoni sodium/chloride dependent transporter 0.0178 0.187 0.1855
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0025 0.0187 0.0277
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0187 0.0417
Loa Loa (eye worm) retinol dehydrogenase 12 0.0025 0.0187 0.0186
Mycobacterium ulcerans short chain dehydrogenase 0.0025 0.0187 0.0417
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1058 0.2565
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0443 0.0442
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1186 0.2883

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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