Detailed information for compound 109699

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 629.608 | Formula: C31H35NO13
  • H donors: 6 H acceptors: 9 LogP: 1.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 3
  • SMILES: OCCN1C(CO)OC2C1CC(OC2C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
  • InChi: 1S/C31H35NO13/c1-13-30-16(32(6-7-33)20(12-35)45-30)8-21(43-13)44-18-10-31(41,19(36)11-34)9-15-23(18)29(40)25-24(27(15)38)26(37)14-4-3-5-17(42-2)22(14)28(25)39/h3-5,13,16,18,20-21,30,33-35,38,40-41H,6-12H2,1-2H3/t13?,16?,18-,20?,21?,30?,31-/m0/s1
  • InChiKey: JELHTSMRGPGVQF-DOONYGDDSA-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
Echinococcus granulosus Smad4 0.0008 0.0102 0.0092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0167 0.0158
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.016 0.0287
Leishmania major importin beta-1 subunit, putative 0.0024 0.0605 0.2014
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0158 0.0493
Echinococcus multilocularis epidermal growth factor receptor 0.0091 0.2757 0.275
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0374 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.4824 0.4819
Entamoeba histolytica hypothetical protein 0.0037 0.1021 0.3459
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0167 0.0158
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.3396 0.8837
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0374 0.1228
Brugia malayi topoisomerase 0.001 0.0158 0.0283
Leishmania major trypanothione reductase 0.0049 0.1395 0.47
Brugia malayi Protein kinase domain containing protein 0.0054 0.1572 0.2968
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0167 0.0158
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0534 0.3769
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0257 0.0828
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0786 0.2627
Echinococcus multilocularis insulin receptor 0.0054 0.1572 0.1564
Brugia malayi hypothetical protein 0.001 0.0158 0.0283
Echinococcus multilocularis importin subunit beta 1 0.003 0.0786 0.0777
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0167 0.0019
Echinococcus granulosus nibrin 0.001 0.0158 0.0149
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Schistosoma mansoni tyrosine kinase 0.009 0.2726 0.2719
Echinococcus granulosus importin subunit beta 1 0.003 0.0786 0.0777
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0374 0.1228
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0167 0.0158
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0167 0.0158
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0167 0.0158
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.016 0.115
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0158 0.0493
Brugia malayi Furin-like cysteine rich region family protein 0.017 0.5275 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0102 0.0092
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0374 0.1228
Plasmodium falciparum glutathione reductase 0.0049 0.1395 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1395 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0369 0.2577
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.2953 0.2946
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.3776 0.377
Echinococcus multilocularis Smad4 0.0008 0.0102 0.0092
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1395 0.4425
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0167 0.0019
Echinococcus multilocularis geminin 0.0175 0.543 0.5425
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1021 0.1013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0167 0.0299
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.3396 0.8837
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0102 0.0092
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0149
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0054 0.1572 0.1564
Echinococcus granulosus bloom syndrome protein 0.0025 0.0626 0.0617
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0167 0.0158
Brugia malayi MH1 domain containing protein 0.0008 0.0102 0.0175
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0374 0.1228
Plasmodium vivax glutathione reductase, putative 0.0049 0.1395 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0167 0.0299
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0257 0.0828
Schistosoma mansoni tyrosine kinase 0.0091 0.2757 0.275
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0167 0.0158
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0167 0.0158
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0158 0.0283
Loa Loa (eye worm) hypothetical protein 0.0125 0.3824 0.3818
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.2953 0.2946
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1021 0.1013
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.1228
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0493
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0149
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0534 0.0996
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0102 0.0092
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.2953 0.2946
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0167 0.0158
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0167 0.0299
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0374 0.1228
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0167 0.0299
Schistosoma mansoni hypothetical protein 0.0175 0.543 0.5425
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.1228
Schistosoma mansoni topbp1 0.001 0.0158 0.0149
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0158 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0493
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0167 0.0158
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0167 0.0158
Echinococcus granulosus insulin receptor 0.0054 0.1572 0.1564
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0374 0.1228
Brugia malayi glutathione reductase 0.0049 0.1395 0.2631
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0374 0.2613
Schistosoma mansoni thyroid hormone receptor 0.001 0.0167 0.0158
Brugia malayi Smad1 0.0008 0.0102 0.0175
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0158 0.1135
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0257 0.0869
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0167 0.0158
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0158 0.1135
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0167 0.0299
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0013 0.0004
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0167 0.0299
Schistosoma mansoni DNA helicase recq1 0.001 0.016 0.0151
Onchocerca volvulus 0.001 0.0167 0.0019
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0534 0.1345
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0605 0.16
Brugia malayi hypothetical protein 0.0156 0.4824 0.9143
Schistosoma mansoni tyrosine kinase 0.0091 0.2757 0.275
Echinococcus multilocularis 0.0053 0.1518 0.151
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.2953 1
Giardia lamblia Kinase, PLK 0.0098 0.2953 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0786 0.0777
Trypanosoma brucei trypanothione reductase 0.0049 0.1395 0.47
Schistosoma mansoni DNA helicase recq5 0.001 0.016 0.0151
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0167 0.0299
Schistosoma mansoni smad1 5 8 and 0.0008 0.0102 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0167 0.0299
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.016 0.0008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0167 0.0158
Toxoplasma gondii thioredoxin reductase 0.0049 0.1395 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.3793 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0257 0.0352
Echinococcus granulosus importin 5 0.0006 0.0013 0.0004
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0459 0.045
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1395 0.1387
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0167 0.0299
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1395 0.1387
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1378 0.4641
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0374 0.1228
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0158 0.105
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0167 0.0158
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0054 0.1572 0.1564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0167 0.0158
Brugia malayi hypothetical protein 0.001 0.0158 0.0283
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0374 0.0773
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0257 0.0828
Schistosoma mansoni Smad4 0.0008 0.0102 0.0092
Plasmodium falciparum importin beta, putative 0.003 0.0786 0.5589
Brugia malayi MH2 domain containing protein 0.0123 0.3776 0.7153
Loa Loa (eye worm) Smad1 0.0008 0.0102 0.0092
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0374 1
Schistosoma mansoni tyrosine kinase 0.009 0.2726 0.2719
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0167 0.0158
Entamoeba histolytica hypothetical protein 0.001 0.0158 0.0536
Echinococcus multilocularis importin 5 0.0006 0.0013 0.0004
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.3396 0.8906
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Loa Loa (eye worm) RecQ helicase 0.0025 0.0626 0.0617
Schistosoma mansoni smad 0.0008 0.0102 0.0092
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0363 0.2602
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0158 0.0493
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0374 0.0693
Schistosoma mansoni hypothetical protein 0.0037 0.1021 0.1013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0167 0.0158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0167 0.0158
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0158 0.0536
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0167 0.0158
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.2953 1
Schistosoma mansoni importin-beta 2 0.0006 0.0013 0.0004
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.3793 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.016 0.115
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.016 0.0151
Treponema pallidum NADH oxidase 0.0017 0.0374 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0102 0.0092
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.053 0.3738
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0167 0.0299
Echinococcus multilocularis snurportin 1 0.0318 1 1
Leishmania major GTP-binding protein, putative 0.0022 0.0534 0.1772
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0167 0.0299
Schistosoma mansoni DNA ligase IV 0.001 0.0158 0.0149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0167 0.0299
Brugia malayi MH2 domain containing protein 0.0008 0.0102 0.0175
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0013 0.0095
Schistosoma mansoni tyrosine kinase 0.009 0.2726 0.2719
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0374 1
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0006 0.0023 0.0035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0167 0.0158
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0149
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0167 0.0158
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.016 0.0151
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0374 0.0365
Schistosoma mansoni nuclear hormone receptor 0.001 0.0167 0.0158
Echinococcus granulosus translational activator gcn1 0.0006 0.0013 0.0004
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0167 0.0158
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0167 0.0299
Brugia malayi ecdysteroid receptor 0.001 0.0167 0.0299
Entamoeba histolytica Ran family GTPase 0.0022 0.0534 0.1809
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0786 0.2627
Loa Loa (eye worm) glutathione reductase 0.0049 0.1395 0.1387
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Schistosoma mansoni ran 0.0022 0.0534 0.0525
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0102 0.0092
Echinococcus granulosus epidermal growth factor receptor 0.0091 0.2757 0.275
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0102 0.0092
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.3396 0.8837
Echinococcus granulosus transportin 1 0.0006 0.0013 0.0004
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0374 0.0365
Echinococcus granulosus smad 0.0008 0.0102 0.0092
Schistosoma mansoni tyrosine kinase 0.0054 0.1572 0.1564
Trichomonas vaginalis ran, putative 0.0022 0.0534 0.1772
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.2953 1
Schistosoma mansoni tyrosine kinase 0.017 0.5275 0.5271
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.0773
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0167 0.0158
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0167 0.0158
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0374 0.2613
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0158 0.0493
Schistosoma mansoni kinase 0.005 0.1419 0.1411
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.2953 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0231 0.042
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0158 0.0493
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0374 0.0365
Echinococcus granulosus geminin 0.0175 0.543 0.5425
Brugia malayi Thioredoxin reductase 0.0049 0.1395 0.2631
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.0773
Echinococcus granulosus replication factor c subunit 1 0.001 0.0158 0.0149
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0534 0.0525
Schistosoma mansoni coup transcription factor 0.001 0.0167 0.0158
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.2953 0.559
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0091 0.2757 0.275
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.2953 0.2946
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0534 0.1345
Schistosoma mansoni ran 0.0022 0.0534 0.0525
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0374 1
Plasmodium falciparum thioredoxin reductase 0.0049 0.1395 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.3396 0.8837
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0158 0.105
Brugia malayi DKFZp564C0469 protein 0.001 0.0158 0.0283
Mycobacterium tuberculosis Probable reductase 0.0111 0.3396 0.8837
Plasmodium falciparum thioredoxin reductase 0.0017 0.0374 0.2613
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1395 0.1387
Brugia malayi Importin beta-1 subunit 0.003 0.0786 0.1474
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.3793 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0534 0.0525
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0374 0.2613
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0167 0.0299
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0374 0.0773
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0493
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0534 0.3829
Brugia malayi MH2 domain containing protein 0.0008 0.0102 0.0175
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0626 0.1171
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0605 0.2014
Entamoeba histolytica hypothetical protein 0.0037 0.1021 0.3459
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0167 0.0158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0167 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0493
Schistosoma mansoni thyroid hormone receptor 0.001 0.0167 0.0158
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0374 0.2684
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.2953 0.599
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0167 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0493
Entamoeba histolytica HEAT repeat domain containing protein 0.0006 0.0013 0.0045
Brugia malayi hypothetical protein 0.0037 0.1021 0.1922
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.016 0.0287
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0374 0.2684
Brugia malayi MH1 domain containing protein 0.0008 0.0102 0.0175
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0231 0.042
Brugia malayi nuclear hormone receptor 0.001 0.0167 0.0299
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0149
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.016 0.0151
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0167 0.0158
Plasmodium vivax importin-beta 2, putative 0.003 0.0786 0.5589
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.2953 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0374 0.2613
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0605 0.2014
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0374 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Schistosoma mansoni hypothetical protein 0.0175 0.543 0.5425
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.0773
Trypanosoma brucei polo-like protein kinase 0.0098 0.2953 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0167 0.0299
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0102 0.0092
Echinococcus multilocularis smad 0.0008 0.0102 0.0092
Echinococcus multilocularis nibrin 0.001 0.0158 0.0149
Schistosoma mansoni topbp1 0.001 0.0158 0.0149
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0158 0.0149
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1378 0.4641
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0158 0.0493
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0534 0.1772
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0374 0.0773
Entamoeba histolytica hypothetical protein 0.0024 0.0605 0.205
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1395 0.2985
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0167 0.0019
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0167 0.0158
Brugia malayi kap beta 3 protein 0.0006 0.0013 0.0007
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.3793 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0102 0.0092
Echinococcus multilocularis epidermal growth factor receptor 0.017 0.5275 0.5271
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Brugia malayi steroid hormone receptor 0.001 0.0167 0.0299
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0167 0.0158
Echinococcus multilocularis translational activator gcn1 0.0006 0.0013 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0167 0.0299
Loa Loa (eye worm) TK/INSR protein kinase 0.0054 0.1572 0.1564
Plasmodium falciparum glutathione reductase 0.0017 0.0374 0.2613
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0374 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0102 0.0092
Echinococcus granulosus FTZ F1 alpha 0.001 0.0167 0.0158
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0605 0.2014
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0626 0.2084
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0167 0.0299
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.3776 0.377
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.0773
Schistosoma mansoni hypothetical protein 0.0318 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.1021 0.3459
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0626 0.0617
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0786 0.5631
Loa Loa (eye worm) hypothetical protein 0.001 0.016 0.0151
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0374 0.0773
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0167 0.0158
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.016 0.0151
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.0773
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0149
Loa Loa (eye worm) hypothetical protein 0.001 0.0167 0.0158
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0158 0.0149
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0374 0.1228
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.3396 0.8837
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0167 0.0158
Echinococcus granulosus epidermal growth factor receptor 0.017 0.5275 0.5271
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0013 0.0004
Schistosoma mansoni tyrosine kinase 0.0054 0.1572 0.1564
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0534 0.3769
Onchocerca volvulus 0.0156 0.4824 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.017 0.5275 0.5271
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0013 0.0095
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.016 0.1065
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1021 0.1013
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0626 0.2084
Echinococcus multilocularis transportin 1 0.0006 0.0013 0.0004
Brugia malayi RNA, U transporter 1 0.0085 0.2541 0.4808
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0167 0.0158
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0374 0.0773
Schistosoma mansoni importin beta-1 0.003 0.0786 0.0777
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.016 0.0151
Entamoeba histolytica hypothetical protein 0.0037 0.1021 0.3459
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0534 0.0525
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0318 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0534 0.1345

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.12 uM Compound was evaluated for the inhibition of RNA synthesis in leukemia L1210 cells ChEMBL. 3761328
ED50 (functional) = 0.12 uM Compound was evaluated for the inhibition of RNA synthesis in leukemia L1210 cells ChEMBL. 3761328
ED50 (functional) = 0.65 uM Compound was evaluated for the inhibition of DNA synthesis in leukemia L1210 cells ChEMBL. 3761328
ED50 (functional) = 0.65 uM Compound was evaluated for the inhibition of DNA synthesis in leukemia L1210 cells ChEMBL. 3761328

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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