Detailed information for compound 39281

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1041.19 | Formula: C44H44AuClN8P4
  • H donors: 0 H acceptors: 8 LogP: 6.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: c1ccc(nc1)P1(CCP([Au+]21P(CCP2(c1ccccn1)c1ccccn1)(c1ccccn1)c1ccccn1)(c1ccccn1)c1ccccn1)c1ccccn1.[Cl-]
  • InChi: 1S/2C22H20N4P2.Au.ClH/c2*1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22;;/h2*1-16H,17-18H2;;1H/q;;-3;/p+3
  • InChiKey: CDINMKXOKBTKID-UHFFFAOYSA-Q  

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
Entamoeba histolytica Thymidylate kinase, putative 0.03 0.1914 0.5569
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0028 0.0108 0.0104
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1516 1 1
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0015 0.0025 0.0007
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0028 0.0108 0.0104
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0622 0.06
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Brugia malayi putative neuropeptide receptor NPR1 0.0028 0.0108 0.0132
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0028 0.0006
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0028 0.0005
Brugia malayi Melatonin receptor type 1A 0.0028 0.0108 0.0132
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0081 0.0058
Echinococcus granulosus neuropeptide s receptor 0.0028 0.0108 0.0104
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0766 0.5017 0.6102
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Onchocerca volvulus 0.0028 0.0108 0.0104
Trichomonas vaginalis nicotinate phosphoribosyltransferase, putative 0.0142 0.0868 0.2199
Brugia malayi Dopamine receptor protein 1 0.0028 0.0108 0.0132
Schistosoma mansoni neuropeptide receptor 0.0028 0.0108 0.0104
Onchocerca volvulus Neuropeptide F receptor homolog 0.0028 0.0108 0.0104
Brugia malayi DNA polymerase alpha catalytic subunit 0.0044 0.0217 0.0265
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Trypanosoma brucei thymidylate kinase, putative 0.03 0.1914 0.1895
Echinococcus granulosus neuropeptide receptor 0.0028 0.0108 0.0104
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0028 0.0108 0.0104
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.03 0.1914 1
Echinococcus granulosus hypothetical protein 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Brugia malayi neuropeptide F receptor 0.0028 0.0108 0.0132
Echinococcus multilocularis G protein coupled receptor 139 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0028 0.0108 0.0104
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis neuropeptide receptor A26 0.0028 0.0108 0.0104
Echinococcus granulosus dro:myosuppressin receptor 0.0028 0.0108 0.0104
Brugia malayi larval opioid receptor 0.0028 0.0108 0.0132
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Trichomonas vaginalis thymidine kinase, putative 0.0526 0.3418 0.884
Onchocerca volvulus 0.0028 0.0108 0.0104
Brugia malayi G protein-coupled receptor 0.0028 0.0108 0.0132
Schistosoma mansoni biogenic amine receptor 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB1 0.0142 0.0868 0.1027
Loa Loa (eye worm) dihydrofolate reductase 0.0507 0.3295 0.3998
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0028 0.001
Schistosoma mansoni growth hormone secretagogue receptor 0.0028 0.0108 0.0104
Echinococcus granulosus g-protein coupled receptor 0.0028 0.0108 0.0104
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0028 0.0108 0.0132
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0622 0.1764
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0075 0.0422 0.0487
Schistosoma mansoni myosin xvIII 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Hypothetical protein 0.0593 0.3864 0.469
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0015 0.0023 0.0028
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0227 0.0243
Schistosoma mansoni opsin-like receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Onchocerca volvulus 0.1246 0.8207 1
Echinococcus multilocularis neuropeptide s receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0028 0.0108 0.0104
Echinococcus granulosus g protein coupled receptor 0.0028 0.0108 0.0104
Schistosoma mansoni thymidylate kinase 0.03 0.1914 0.231
Brugia malayi thymidylate synthase 0.1246 0.8207 1
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Brugia malayi AKH receptor 0.0028 0.0108 0.0132
Treponema pallidum thymidylate kinase (tmk) 0.03 0.1914 1
Onchocerca volvulus 0.0028 0.0108 0.0104
Echinococcus multilocularis thymidylate kinase 0.03 0.1914 0.231
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0142 0.0868 0.1032
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0622 0.0732
Echinococcus granulosus tm gpcr rhodopsin 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0028 0.0108 0.0104
Schistosoma mansoni neuropeptide f receptor 76f 0.0028 0.0108 0.0104
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0028 0.0006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Schistosoma mansoni biogenic amine receptor 0.0028 0.0108 0.0104
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0111 0.0231
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus multilocularis somatostatin receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis O glycosyltransferase 0.004 0.0187 0.0201
Schistosoma mansoni neuropeptide receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi G protein-coupled receptor F59B2.13 0.0028 0.0108 0.0132
Mycobacterium ulcerans thymidylate synthase 0.1246 0.8207 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0622 0.0732
Wolbachia endosymbiont of Brugia malayi hypothetical protein 0.0016 0.0026 0.0000050117
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0028 0.0013
Schistosoma mansoni amine GPCR 0.0028 0.0108 0.0104
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0111 0.0261
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Echinococcus multilocularis fmrfamide receptor 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0616 0.0719
Schistosoma mansoni amine GPCR 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0694 0.0814
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0028 0.0108 0.0104
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0024 0.0081 0.0152
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Brugia malayi phosphofructokinase 0.0105 0.0622 0.0758
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0055 0.0286 0.0321
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0622 0.06
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0028 0.0108 0.0104
Brugia malayi glutathione reductase 0.0046 0.0227 0.0276
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0028 0.0005
Echinococcus granulosus neuropeptide receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) thymidylate kinase 0.03 0.1914 0.231
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.03 0.1914 0.2305
Treponema pallidum hypothetical protein 0.0016 0.0026 0.0000050117
Schistosoma mansoni amine GPCR 0.0028 0.0108 0.0104
Schistosoma mansoni nicotinate phosphoribosyltransferase 0.0142 0.0868 0.1032
Loa Loa (eye worm) glutathione reductase 0.0046 0.0227 0.0249
Echinococcus granulosus fmrfamide receptor 0.0028 0.0108 0.0104
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0028 0.0108 0.0132
Onchocerca volvulus Putative thymidylate kinase 0.03 0.1914 0.231
Echinococcus multilocularis g protein coupled receptor 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Brugia malayi G-protein coupled receptor 0.0028 0.0108 0.0132
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0694 0.0814
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0024 0.0081 0.0058
Giardia lamblia Thymidine kinase 0.0526 0.3418 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0111 0.0089
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0028 0.0108 0.0104
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.0622 0.06
Onchocerca volvulus 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0111 0.0089
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0028 0.0108 0.0104
Trichomonas vaginalis thymidine kinase, putative 0.0526 0.3418 0.884
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi RE15519p 0.0028 0.0108 0.0132
Echinococcus multilocularis g protein coupled receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) G-protein coupled receptor 0.0028 0.0108 0.0104
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0028 0.0002
Giardia lamblia CDC8 0.03 0.1914 0.5569
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0028 0.0108 0.0104
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0227 0.0204
Echinococcus granulosus O glycosyltransferase 0.004 0.0187 0.0201
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Echinococcus multilocularis sex peptide receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus granulosus thymidylate synthase 0.1246 0.8207 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0507 0.3295 0.3996
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1516 1 1
Echinococcus granulosus nicotinamide phosphoribosyltransferase 0.0766 0.5017 0.6102
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0028 0.0005
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0028 0.0108 0.0104
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0028 0.0108 0.0104
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0028 0.0108 0.0132
Brugia malayi G-protein coupled receptor 0.0028 0.0108 0.0132
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Echinococcus granulosus g protein coupled receptor 0.0028 0.0108 0.0104
Mycobacterium ulcerans thymidylate kinase 0.03 0.1914 0.2307
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0622 0.1764
Plasmodium falciparum nicotinate phosphoribosyltransferase, putative 0.0142 0.0868 0.0847
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0028 0.0108 0.0104
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus multilocularis dihydrofolate reductase 0.0507 0.3295 0.3998
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis fmrfamide receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus multilocularis nicotinamide phosphoribosyltransferase 0.0766 0.5017 0.6102
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0028 0.0108 0.0104
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0028 0.0002
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0028 0.0108 0.0132
Brugia malayi Dopamine receptor 0.0028 0.0108 0.0132
Schistosoma mansoni neuropeptide F-like receptor 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0694 0.0814
Schistosoma mansoni neuropeptide receptor 0.0028 0.0108 0.0104
Leishmania major nicotinate phosphoribosyltransferase, putative 0.0142 0.0868 0.0847
Brugia malayi GnHR receptor homolog 0.0028 0.0108 0.0132
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Onchocerca volvulus 0.0028 0.0108 0.0104
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0622 0.0732
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0028 0.0005
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0028 0.0005
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0028 0.0108 0.0104
Echinococcus granulosus somatostatin receptor 0.0028 0.0108 0.0104
Leishmania major trypanothione reductase 0.0046 0.0227 0.0204
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0227 0.0249
Trypanosoma brucei thymidylate kinase, putative 0.03 0.1914 0.1895
Echinococcus multilocularis neuropeptide Y receptor 0.0028 0.0108 0.0104
Echinococcus granulosus allatostatin A receptor 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0111 0.0089
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Brugia malayi UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 0.004 0.0186 0.0227
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0616 0.0719
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Schistosoma mansoni biogenic amine (5HT) receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0028 0.0108 0.0104
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0028 0.0006
Echinococcus granulosus orexin receptor type 2 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0507 0.3295 0.3994
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0028 0.0108 0.0104
Schistosoma mansoni amine GPCR 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Schistosoma mansoni neuropeptide F-like receptor 0.0028 0.0108 0.0104
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0055 0.0286 0.0321
Brugia malayi Dihydrofolate reductase 0.0507 0.3295 0.4015
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0111 0.0089
Brugia malayi sulfakinin receptor protein 0.0028 0.0108 0.0132
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0111 0.0089
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0616 0.0719
Onchocerca volvulus 0.0028 0.0108 0.0104
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.03 0.1914 0.1709
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0622 0.1764
Echinococcus granulosus peptide allatostatin:somatostatin 0.0028 0.0108 0.0104
Echinococcus granulosus neuropeptides capa receptor 0.0028 0.0108 0.0104
Brugia malayi Dopamine receptor protein 2 0.0028 0.0108 0.0132
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Schistosoma mansoni opsin-like receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Toxoplasma gondii O-linked N-acetylglucosamine transferase 0.0039 0.0184 0.0162
Schistosoma mansoni thymidylate kinase 0.03 0.1914 0.231
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0028 0.0006
Brugia malayi thymidylate kinase 0.03 0.1914 0.2332
Echinococcus multilocularis g protein coupled receptor 0.0028 0.0108 0.0104
Echinococcus granulosus serotonin receptor 0.0028 0.0108 0.0104
Brugia malayi DNA polymerase family B containing protein 0.0015 0.0023 0.0028
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1246 0.8207 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.002 0.0059 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0593 0.3864 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0028 0.0111 0.0261
Echinococcus multilocularis neuropeptides capa receptor 0.0028 0.0108 0.0104
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0028 0.0013
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.0622 0.0726
Echinococcus granulosus 7tm_1 domain containing protein 0.0028 0.0108 0.0104
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Schistosoma mansoni o-linked n-acetylglucosamine transferase ogt 0.004 0.0187 0.0201
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Toxoplasma gondii thioredoxin reductase 0.0046 0.0227 0.0204
Brugia malayi Pre-B cell enhancing factor precursor 0.0766 0.5017 0.6113
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.0622 0.0732
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0111 0.0231
Brugia malayi ORL1-like opioid receptor 0.0028 0.0108 0.0132
Echinococcus multilocularis serotonin receptor 0.0028 0.0108 0.0104
Plasmodium falciparum thymidylate kinase 0.03 0.1914 0.1895
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Echinococcus multilocularis orexin receptor type 2 0.0028 0.0108 0.0104
Echinococcus granulosus thymidylate kinase 0.03 0.1914 0.231
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0616 0.0719
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi follicle stimulating hormone receptor 0.0028 0.0108 0.0132
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Leishmania major thymidine kinase, putative 0.0526 0.3418 0.3403
Echinococcus multilocularis neuropeptide FF receptor 2 0.0028 0.0108 0.0104
Schistosoma mansoni amine GPCR 0.0028 0.0108 0.0104
Echinococcus granulosus tm gpcr rhodopsin 0.0028 0.0108 0.0104
Trypanosoma cruzi thymidylate kinase, putative 0.03 0.1914 0.1895
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1246 0.8207 1
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB2 0.0142 0.0868 0.1027
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0111 0.0231
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0118 0.0704 0.0683
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus granulosus neuropeptide receptor A26 0.0028 0.0108 0.0104
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0028 0.0108 0.0104
Echinococcus granulosus 7TM GPCR rhodopsin 0.0028 0.0108 0.0104
Brugia malayi 6-phosphofructokinase 0.0105 0.0622 0.0758
Echinococcus granulosus neuropeptide FF receptor 2 0.0028 0.0108 0.0104
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1516 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Leishmania major hypothetical protein, conserved 0.0118 0.0704 0.0683
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Trypanosoma cruzi thymidylate kinase, putative 0.03 0.1914 0.1895
Echinococcus granulosus tachykinin peptides receptor 99D 0.0028 0.0108 0.0104
Schistosoma mansoni hypothetical protein 0.03 0.1914 0.231
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) phosphofructokinase 0.0105 0.0622 0.0732
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Entamoeba histolytica thymidine kinase, putative 0.0526 0.3418 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.0227 0.0204
Echinococcus granulosus tm gpcr rhodopsin 0.0028 0.0108 0.0104
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0111 0.0089
Schistosoma mansoni biogenic amine (5HT) receptor 0.0028 0.0108 0.0104
Plasmodium vivax thymidylate kinase, putative 0.03 0.1914 0.1895
Schistosoma mansoni hypothetical protein 0.0028 0.0108 0.0104
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0028 0.0002
Echinococcus multilocularis dro:myosuppressin receptor 0.0028 0.0108 0.0104
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0028 0.0108 0.0104
Echinococcus granulosus biogenic amine 5HT receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0028 0.0005
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0028 0.0005
Trichomonas vaginalis thymidylate kinase, putative 0.03 0.1914 0.4923
Schistosoma mansoni neuropeptide receptor 0.0028 0.0108 0.0104
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0111 0.0261
Trypanosoma brucei nicotinate phosphoribosyltransferase, putative 0.0142 0.0868 0.0847
Echinococcus granulosus biogenic amine 5HT receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) UDP-N-acetylglucosamine-peptide N-acetylglucosaminyltransferase 0.004 0.0186 0.0199
Brugia malayi 6-phosphofructokinase 0.0105 0.0622 0.0758
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0694 0.0102
Brugia malayi neuropeptide F receptor 0.0028 0.0108 0.0132
Loa Loa (eye worm) neuropeptide F receptor 0.0028 0.0108 0.0104
Schistosoma mansoni histamine h1 receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0028 0.0108 0.0104
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0024 0.0081 0.0058
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0044 0.0217 0.0195
Chlamydia trachomatis dihydrofolate reductase 0.0507 0.3295 1
Loa Loa (eye worm) neuropeptide F receptor 0.0028 0.0108 0.0104
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0028 0.0108 0.0104
Echinococcus multilocularis g-protein coupled receptor 0.0028 0.0108 0.0104
Echinococcus granulosus dihydrofolate reductase 0.0507 0.3295 0.3998
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0028 0.0108 0.0104
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.1559
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0028 0.0108 0.0104
Echinococcus granulosus neuropeptide Y receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) thymidylate synthase 0.1246 0.8207 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0028 0.0108 0.0104
Toxoplasma gondii thymidylate kinase 0.03 0.1914 0.1895
Plasmodium vivax DNA polymerase alpha, putative 0.0044 0.0217 0.0195
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus multilocularis thymidylate synthase 0.1246 0.8207 1
Trypanosoma cruzi nicotinate phosphoribosyltransferase, putative 0.0142 0.0868 0.0847
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0111 0.0089
Brugia malayi DNA polymerase delta catalytic subunit 0.0015 0.0023 0.0028
Echinococcus granulosus alpha 1A adrenergic receptor 0.0028 0.0108 0.0104
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0593 0.3864 0.4708
Onchocerca volvulus 0.0028 0.0108 0.0104
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1246 0.8207 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0028 0.0015
Trichomonas vaginalis thymidine kinase, putative 0.0526 0.3418 0.884
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Treponema pallidum nicotinate phosphoribosyltransferase 0.0142 0.0868 0.4458
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) G-protein coupled receptor 0.0028 0.0108 0.0104
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0028 0.0005
Giardia lamblia O-linked GlcNAc transferase 0.0039 0.0184 0.0475
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0028 0.0108 0.0104
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.1559
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.0622 0.3156
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.0622 0.0007
Giardia lamblia O-linked GlcNAc transferase 0.0023 0.0076 0.0155
Loa Loa (eye worm) TYRA-2 protein 0.0028 0.0108 0.0104
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0028 0.0005
Trichomonas vaginalis DNA polymerase II, putative 0.0024 0.0081 0.0152
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0118 0.0704 0.0683
Trypanosoma brucei RNA helicase, putative 0.0138 0.0839 0.0818
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Trichomonas vaginalis thymidylate kinase, putative 0.03 0.1914 0.4923
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0028 0.0108 0.0104
Giardia lamblia DNA polymerase alpha subunit A 0.0046 0.023 0.061
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0055 0.0286 0.0321
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0227 0.0204
Trypanosoma cruzi thymidine kinase, putative 0.0526 0.3418 0.3403
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Schistosoma mansoni hypothetical protein 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.0622 0.0732
Echinococcus multilocularis neuropeptides capa receptor 0.0028 0.0108 0.0104
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0227 0.0249
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0507 0.3295 0.3529
Brugia malayi dihydrofolate reductase family protein 0.0507 0.3295 0.4015
Brugia malayi putative neuropeptide receptor 0.0028 0.0108 0.0132
Echinococcus multilocularis neuropeptide receptor 0.0028 0.0108 0.0104
Brugia malayi Tachykinin-like peptides receptor 99D 0.0028 0.0108 0.0132
Schistosoma mansoni hypothetical protein 0.0138 0.0839 0.0998
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0028 0.0005
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.0622 0.0728
Echinococcus granulosus neuropeptide Y receptor 0.0028 0.0108 0.0104
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0028 0.0005
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1516 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Brugia malayi Thioredoxin reductase 0.0046 0.0227 0.0276
Schistosoma mansoni adenoreceptor 0.0028 0.0108 0.0104
Brugia malayi Serotonin receptor 0.0028 0.0108 0.0132
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0028 0.0108 0.0104
Chlamydia trachomatis thymidylate kinase 0.03 0.1914 0.5775
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0111 0.0231
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Echinococcus granulosus G protein coupled receptor 139 0.0028 0.0108 0.0104
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0111 0.0231
Schistosoma mansoni hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0111 0.0231
Mycobacterium tuberculosis Probable reductase 0.0104 0.0616 0.0719
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0111 0.0261
Schistosoma mansoni dihydrofolate reductase 0.0507 0.3295 0.3998
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0028 0.0005
Echinococcus multilocularis serotonin receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis neuropeptide receptor 0.0028 0.0108 0.0104
Schistosoma mansoni hypothetical protein 0.0028 0.0108 0.0104
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Trypanosoma brucei thymidine kinase 0.0526 0.3418 0.3403
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0015 0.0025 0.0003
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0111 0.0231
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Plasmodium falciparum thioredoxin reductase 0.0046 0.0227 0.0204
Entamoeba histolytica nicotinate phosphoribosyltransferase, putative 0.0142 0.0868 0.2488
Echinococcus granulosus neuropeptides capa receptor 0.0028 0.0108 0.0104
Leishmania major thymidylate kinase-like protein 0.03 0.1914 0.1895
Brugia malayi Serotonin receptor 0.0028 0.0108 0.0132
Schistosoma mansoni biogenic amine receptor 0.0028 0.0108 0.0104
Echinococcus multilocularis allatostatin A receptor 0.0028 0.0108 0.0104
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0028 0.001
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.1559
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0028 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Plasmodium falciparum glutathione reductase 0.0016 0.0028 0.0005
Plasmodium falciparum thioredoxin reductase 0.0016 0.0028 0.0005
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Brugia malayi hypothetical protein 0.0028 0.0108 0.0132
Echinococcus multilocularis neuropeptide Y receptor 0.0028 0.0108 0.0104
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0028 0.0005
Treponema pallidum NADH oxidase 0.0016 0.0028 0.001
Trypanosoma cruzi thymidine kinase, putative 0.0526 0.3418 0.3403
Plasmodium falciparum glutathione reductase 0.0046 0.0227 0.0204
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0622 0.0732
Loa Loa (eye worm) hypothetical protein 0.0075 0.0422 0.0487
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0593 0.3864 0.385
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0028 0.0108 0.0104
Echinococcus granulosus sex peptide receptor 0.0028 0.0108 0.0104
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0028 0.0034
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0028 0.0005
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0028 0.0111 0.0453
Echinococcus granulosus g protein coupled receptor 0.0028 0.0108 0.0104
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0028 0.0108 0.0132
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1516 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0108 0.0104
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0616 0.0719
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0028 0.0108 0.0104
Onchocerca volvulus 0.0028 0.0108 0.0104
Echinococcus multilocularis G-protein coupled receptor, putative 0.0028 0.0108 0.0104
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Loa Loa (eye worm) pre-B cell enhancing factor 0.0766 0.5017 0.6102
Trypanosoma brucei trypanothione reductase 0.0046 0.0227 0.0204
Schistosoma mansoni alpha-1 adrenergic receptor 0.0028 0.0108 0.0104
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0028 0.0005
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0104
Schistosoma mansoni opsin-like receptor 0.0028 0.0108 0.0104
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.1559
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0028 0.0005
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0028 0.0108 0.0104
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0108 0.0104
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0227 0.0249

Activities

Activity type Activity value Assay description Source Reference
ILS (functional) = 0 % In vitro maximum increase in lifespan produced in mice bearing M5076 reticulum cell sarcoma implanted tumor; Inactive ChEMBL. 2329559
ILS (binding) = 43 % In vitro maximum increase in lifespan produced in mice bearing ip B16 melanoma implanted tumor ChEMBL. 2329559
ILS (functional) = 75 % In vitro maximum increase in lifespan produced in mice bearing ip P388 leukemia ChEMBL. 2329559
MTD (functional) = 8 uM day-1 kg-1 In vitro maximally tolerated dose for B6D2F1 mice on an ip P388 leukemia every day for 5 days regimen ChEMBL. 2329559
MTD (functional) = 8 uM day-1 kg-1 In vitro maximally tolerated dose for B6D2F mice on an every day ip for 10 days regimen. ChEMBL. 2329559

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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