Detailed information for compound 269009

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.46 | Formula: C21H30O5
  • H donors: 0 H acceptors: 0 LogP: 3.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@H]1O[C@@]2(C)CC[C@@H]3[C@@]1(OO2)[C@@H](CCC3)CCOCc1ccccc1
  • InChi: 1S/C21H30O5/c1-20-13-11-17-9-6-10-18(21(17,26-25-20)19(22-2)24-20)12-14-23-15-16-7-4-3-5-8-16/h3-5,7-8,17-19H,6,9-15H2,1-2H3/t17-,18+,19+,20-,21-/m1/s1
  • InChiKey: UVYBGNLFYBQCRJ-XDWAVFMPSA-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
Brugia malayi Cell death protein 3 precursor 0.00216339 0.000117668 0.000108234
Trypanosoma cruzi metacaspase, putative 0.00216339 0.000117668 0.000158107
Toxoplasma gondii RNA-directed DNA polymerase 0.0412444 0.0321482 0.0321482
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.011339 0.0076379 0.946643
Echinococcus granulosus poly adp ribose polymerase 2 0.00464136 0.0021486 0.0021486
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.00253952 0.000425938 0.000572318
Trypanosoma brucei telomerase reverse transcriptase 0.0412444 0.0321482 0.0431964
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0141371 0.00993122 0.00992188
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159626 0.0114274 0.0114274
Echinococcus granulosus dihydrofolate reductase 0.00462365 0.00213408 0.00213408
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.00249066 0.000385892 0.027332
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.00539426 0.00276567 0.00371613
Leishmania major DNA topoisomerase III, putative 0.00310038 0.000885619 0.00118997
Trypanosoma brucei DNA topoisomerase III, putative 0.00310038 0.000885619 0.00118997
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.00216339 0.000117668 0.000108234
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.00832257 0.00516569 0.00516569
Echinococcus multilocularis 0.0534831 0.042179 0.042179
Brugia malayi Dihydrofolate reductase 0.00462365 0.00213408 0.00212467
Echinococcus granulosus caspase 0.01009 0.00661425 0.00661425
Trichomonas vaginalis guanylate cyclase, putative 0.00249066 0.000385892 0.027332
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.00216339 0.000117668 0.000117668
Echinococcus granulosus WGR domain containing protein 0.00262411 0.00049527 0.00049527
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Schistosoma mansoni multidrug resistance protein 0.00922315 0.0059038 0.0059038
Giardia lamblia Adenine phosphoribosyltransferase 0.00228796 0.000219766 0.00654444
Schistosoma mansoni uracil phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Mycobacterium ulcerans putative regulatory protein 0.00709296 0.00415791 0.418671
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.00462365 0.00213408 0.24429
Brugia malayi WGR domain containing protein 0.00746437 0.00446232 0.00445292
Trypanosoma cruzi hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Echinococcus granulosus uridine 5' monophosphate synthase 0.00228796 0.000219766 0.000219766
Echinococcus granulosus adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Plasmodium vivax hypothetical protein, conserved 0.00216339 0.000117668 0.000117668
Trypanosoma cruzi metacaspase, putative 0.00216339 0.000117668 0.000158107
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.00332931 0.00107325 0.00106382
Echinococcus multilocularis uridine 5' monophosphate synthase 0.00228796 0.000219766 0.000219766
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0412444 0.0321482 0.0431964
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159626 0.0114274 0.0153546
Brugia malayi WGR domain containing protein 0.00464136 0.0021486 0.00213918
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 0.0133442
Schistosoma mansoni caspase-3 (C14 family) 0.01009 0.00661425 0.00661425
Echinococcus granulosus caspase 3 0.00792659 0.00484115 0.00484115
Loa Loa (eye worm) hypothetical protein 0.00464136 0.0021486 0.00213918
Onchocerca volvulus 0.0141371 0.00993122 0.0927622
Brugia malayi orotate phosphoribosyltransferase family protein 0.00228796 0.000219766 0.000210332
Leishmania major DNA topoisomerase 1A 0.00310038 0.000885619 0.00118997
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0118491 0.00805602 1
Echinococcus multilocularis dihydrofolate reductase 0.00462365 0.00213408 0.00213408
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0234591 0.0175715 0.0175622
Leishmania major DNA topoisomerase IB, large subunit 0.910071 0.744234 1
Mycobacterium leprae Possible regulatory protein 0.00249066 0.000385892 0.0211996
Treponema pallidum DNA topoisomerase I (topA) 0.00310038 0.000885619 1
Mycobacterium ulcerans DNA topoisomerase I 0.00310038 0.000885619 0.0891752
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0141371 0.00993122 0.0133442
Schistosoma mansoni serine/threonine protein kinase 0.0234591 0.0175715 0.0175715
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.00464136 0.0021486 0.0021486
Toxoplasma gondii DNA topoisomerase I, putative 1.22214 1 1
Onchocerca volvulus 0.011339 0.0076379 0.0713212
Toxoplasma gondii DNA topoisomerase family protein 0.00310038 0.000885619 0.000885619
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.00249066 0.000385892 0.00037646
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.00249066 0.000385892 0.000518509
Plasmodium vivax DNA topoisomerase 3, putative 0.00310038 0.000885619 0.000885619
Plasmodium falciparum DNA topoisomerase 3, putative 0.00310038 0.000885619 0.000885619
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.00228796 0.000219766 0.0104038
Mycobacterium ulcerans hypothetical protein 0.00228796 0.000219766 0.0221288
Brugia malayi dihydrofolate reductase family protein 0.00462365 0.00213408 0.00212467
Brugia malayi Adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000210332
Trypanosoma brucei MATE efflux family protein, putative 0.00922315 0.0059038 0.00793273
Plasmodium vivax topoisomerase I, putative 1.22214 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Echinococcus granulosus poly ADP ribose polymerase 1 0.00746437 0.00446232 0.00446232
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0412444 0.0321482 0.0431964
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.00203134 0.00000943562 0.00000943562
Onchocerca volvulus 0.00249066 0.000385892 0.00351962
Schistosoma mansoni DNA topoisomerase type I 0.910071 0.744234 0.744234
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.00228796 0.000219766 0.0221288
Giardia lamblia Telomerase catalytic subunit 0.0412444 0.0321482 1
Entamoeba histolytica DNA topoisomerase III, putative 0.00310038 0.000885619 0.198466
Mycobacterium ulcerans amidophosphoribosyltransferase 0.00228796 0.000219766 0.0221288
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 1
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.00746437 0.00446232 1
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.40958 0.334034 0.44883
Schistosoma mansoni DNA topoisomerase type I 0.910071 0.744234 0.744234
Echinococcus granulosus caspase 8 0.00216339 0.000117668 0.000117668
Trypanosoma cruzi hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Schistosoma mansoni dihydrofolate reductase 0.00462365 0.00213408 0.00213408
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.00464136 0.0021486 0.002887
Leishmania major adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000295292
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.00922315 0.0059038 0.0059038
Brugia malayi hypothetical protein 0.00539426 0.00276567 0.00275626
Echinococcus granulosus DNA topoisomerase 1 1.22214 1 1
Trypanosoma brucei membrane transporter protein, putative 0.00922315 0.0059038 0.00793273
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.00253952 0.000425938 0.000572318
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.029843 0.0228037 0.0228037
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.00922315 0.0059038 0.0059038
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.00310038 0.000885619 0.0849708
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Loa Loa (eye worm) hypothetical protein 0.00216339 0.000117668 0.000108234
Schistosoma mansoni prokaryotic DNA topoisomerase 0.00310038 0.000885619 0.000885619
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.00203134 0.00000943562 0.00000943562
Trichomonas vaginalis conserved hypothetical protein 0.00249066 0.000385892 0.027332
Schistosoma mansoni caspase-7 (C14 family) 0.00216339 0.000117668 0.000117668
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Schistosoma mansoni single-minded 0.00958361 0.00619924 0.00619924
Schistosoma mansoni Adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 0.0133442
Schistosoma mansoni DNA topoisomerase type I 1.22214 1 1
Trichomonas vaginalis adenylate cyclase, putative 0.00249066 0.000385892 0.027332
Echinococcus multilocularis transfer RNA-Lys 0.00709296 0.00415791 0.00415791
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.00253952 0.000425938 0.000572318
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.00228796 0.000219766 0.00196645
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.910071 0.744234 1
Trypanosoma brucei metacaspase 5, putative 0.00216339 0.000117668 0.000158107
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Toxoplasma gondii orotate phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Brugia malayi thymidylate synthase 0.011339 0.0076379 0.00762854
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.00249066 0.000385892 0.027332
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.132534 0.106969 1
Onchocerca volvulus 0.00709296 0.00415791 0.0387855
Schistosoma mansoni poly [ADP-ribose] polymerase 0.00464136 0.0021486 0.0021486
Echinococcus multilocularis aryl hydrocarbon receptor 0.00249066 0.000385892 0.000385892
Trypanosoma cruzi DNA topoisomerase III, putative 0.00310038 0.000885619 0.00118997
Schistosoma mansoni poly [ADP-ribose] polymerase 0.00746437 0.00446232 0.00446232
Echinococcus granulosus single minded 2 0.00709296 0.00415791 0.00415791
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 0.0133442
Trypanosoma cruzi DNA topoisomerase IA, putative 0.00310038 0.000885619 0.00118997
Echinococcus multilocularis rho GTPase activating protein 20 0.00310038 0.000885619 0.000885619
Onchocerca volvulus Cell death protein 3 homolog 0.00216339 0.000117668 0.00101191
Leishmania major xanthine phosphoribosyltransferase 0.0141371 0.00993122 0.0133442
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.00769414 0.00465063 0.00465063
Echinococcus granulosus tm gpcr rhodopsin 0.029843 0.0228037 0.0228037
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Trypanosoma cruzi hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Echinococcus multilocularis DNA topoisomerase 1 1.22214 1 1
Trypanosoma cruzi metacaspase 5, putative 0.00216339 0.000117668 0.000158107
Leishmania major DNA topoisomerase type IB small subunit 0.40958 0.334034 0.44883
Loa Loa (eye worm) hypothetical protein 0.0285793 0.0217679 0.0217587
Echinococcus multilocularis caspase 8 0.00216339 0.000117668 0.000117668
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.00253952 0.000425938 0.000572318
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.01009 0.00661425 0.00661425
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.00249066 0.000385892 0.027332
Trypanosoma brucei metacaspase 0.00216339 0.000117668 0.000158107
Trypanosoma brucei poly(adp-ribose) polymerase 0.00464136 0.0021486 0.002887
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159626 0.0114274 0.0153546
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.00228796 0.000219766 0.0221288
Schistosoma mansoni poly [ADP-ribose] polymerase 0.00401489 0.00163514 0.00163514
Trypanosoma cruzi membrane transporter protein, putative 0.00922315 0.0059038 0.00793273
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159626 0.0114274 0.0153546
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.00216339 0.000117668 0.000117668
Leishmania major DNA topoisomerase III, putative 0.00203134 0.00000943562 0.0000126783
Trypanosoma cruzi metacaspase, putative 0.00216339 0.000117668 0.000158107
Trypanosoma cruzi DNA topoisomerase III, putative 0.00310038 0.000885619 0.00118997
Brugia malayi DNA topoisomerase I 1.22214 1 1
Chlamydia trachomatis DNA topoisomerase I 0.00310038 0.000885619 0.285854
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.00216339 0.000117668 0.000117668
Trypanosoma brucei metacaspase MCA2 0.00216339 0.000117668 0.000158107
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.40958 0.334034 0.44883
Loa Loa (eye worm) hypothetical protein 0.00216339 0.000117668 0.000108234
Brugia malayi bHLH-PAS transcription factor 0.00709296 0.00415791 0.00414851
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Giardia lamblia DNA topoisomerase III 0.00310038 0.000885619 0.0272625
Entamoeba histolytica DNA topoisomerase III, putative 0.00203134 0.00000943562 0.00211451
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Trypanosoma brucei membrane transporter protein, putative 0.00922315 0.0059038 0.00793273
Plasmodium vivax metacaspase 1, putative 0.00216339 0.000117668 0.000117668
Trichomonas vaginalis conserved hypothetical protein 0.00249066 0.000385892 0.027332
Trichomonas vaginalis conserved hypothetical protein 0.00249066 0.000385892 0.027332
Leishmania major hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0141371 0.00993122 0.0133442
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000219766
Chlamydia trachomatis dihydrofolate reductase 0.00462365 0.00213408 1
Trypanosoma cruzi hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Loa Loa (eye worm) hypothetical protein 0.0321521 0.0246962 0.024687
Trypanosoma brucei DNA topoisomerase IA, putative 0.00310038 0.000885619 0.00118997
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0141371 0.00993122 0.0133442
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.01009 0.00661425 0.00661425
Schistosoma mansoni prokaryotic DNA topoisomerase 0.00203134 0.00000943562 0.00000943562
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Trypanosoma brucei metacaspase MCA3 0.00216339 0.000117668 0.000158107
Leishmania major hypothetical protein, conserved 0.00922315 0.0059038 0.00793273
Trypanosoma cruzi DNA topoisomerase IA, putative 0.00310038 0.000885619 0.00118997
Giardia lamblia Guanine phosphoribosyltransferase 0.0141371 0.00993122 0.308717
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.00228796 0.000219766 0.000219766
Loa Loa (eye worm) thymidylate synthase 0.011339 0.0076379 0.00762854
Loa Loa (eye worm) hypothetical protein 0.00249066 0.000385892 0.00037646
Mycobacterium ulcerans thymidylate synthase 0.011339 0.0076379 0.76908
Leishmania major protein kinase, putative 0.00253952 0.000425938 0.000572318
Loa Loa (eye worm) hypoxia-induced factor 1 0.0296615 0.0226549 0.0226457
Plasmodium vivax telomerase reverse transcriptase, putative 0.0412444 0.0321482 0.0321482
Echinococcus granulosus thymidylate synthase 0.011339 0.0076379 0.0076379
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.00249066 0.000385892 0.000385892
Plasmodium falciparum topoisomerase I 1.22214 1 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.00310038 0.000885619 0.0782541
Echinococcus multilocularis caspase 3 0.00792659 0.00484115 0.00484115
Plasmodium falciparum telomerase reverse transcriptase 0.0412444 0.0321482 0.0321482
Trypanosoma cruzi metacaspase, putative 0.00216339 0.000117668 0.000158107
Brugia malayi DNA topoisomerase III 0.00310038 0.000885619 0.000876191
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.00249066 0.000385892 0.027332
Trypanosoma brucei Metacaspase-4 0.00216339 0.000117668 0.000158107
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 0.0133442
Echinococcus granulosus aryl hydrocarbon receptor 0.00249066 0.000385892 0.000385892
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.00310038 0.000885619 0.0782541
Brugia malayi PAS domain containing protein 0.00958361 0.00619924 0.00618986
Plasmodium falciparum orotate phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.00746437 0.00446232 0.00446232
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159626 0.0114274 0.0114274
Echinococcus granulosus DNA topoisomerase 3 alpha 0.00310038 0.000885619 0.000885619
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.00249066 0.000385892 0.000518509
Brugia malayi hypothetical protein 0.0321521 0.0246962 0.024687
Leishmania major protein kinase, putative 0.00253952 0.000425938 0.000572318
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0141371 0.00993122 0.00993122
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.00228796 0.000219766 0.000295292
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.00228796 0.000219766 0.0104038
Plasmodium falciparum metacaspase 1 0.00216339 0.000117668 0.000117668
Loa Loa (eye worm) DNA topoisomerase III 0.00310038 0.000885619 0.000876191
Echinococcus multilocularis adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.00464136 0.0021486 0.002887
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.00228796 0.000219766 0.0221288
Leishmania major telomerase reverse transcriptase, putative 0.0412444 0.0321482 0.0431964
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159626 0.0114274 0.0114274
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.00310038 0.000885619 1
Schistosoma mansoni aryl hydrocarbon receptor 0.00958361 0.00619924 0.00619924
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.00249066 0.000385892 0.000385892
Schistosoma mansoni Adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000219766
Loa Loa (eye worm) dihydrofolate reductase 0.00462365 0.00213408 0.00212467
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.00228796 0.000219766 0.000210332
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0141371 0.00993122 0.00993122
Trichomonas vaginalis conserved hypothetical protein 0.00539426 0.00276567 0.269831
Leishmania major metacaspase, putative 0.00216339 0.000117668 0.000158107
Echinococcus granulosus caspase 2 0.00216339 0.000117668 0.000117668
Trypanosoma cruzi DNA topoisomerase III, putative 0.00203134 0.00000943562 0.0000126783
Loa Loa (eye worm) DNA topoisomerase I 1.22214 1 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.00249066 0.000385892 0.027332
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.00228796 0.000219766 0.000210332
Brugia malayi Protein kinase domain containing protein 0.0234591 0.0175715 0.0175622
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 0.0133442
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.00462365 0.00213408 0.214886
Echinococcus granulosus poly (ADP ribose) polymerase 0.00262411 0.00049527 0.00049527
Echinococcus multilocularis caspase 0.01009 0.00661425 0.00661425
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.910071 0.744234 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0141371 0.00993122 0.00993122
Mycobacterium tuberculosis Hypothetical protein 0.00539426 0.00276567 0.324888
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.00228796 0.000219766 0.000295292
Loa Loa (eye worm) hypothetical protein 0.00544711 0.00280899 0.00279958
Echinococcus multilocularis caspase 2 0.00216339 0.000117668 0.000117668
Plasmodium falciparum metacaspase-like protein 0.00216339 0.000117668 0.000117668
Trypanosoma cruzi metacaspase 5, putative 0.00216339 0.000117668 0.000158107
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.00216339 0.000117668 0.000117668
Trypanosoma brucei DNA topoisomerase III, putative 0.00203134 0.00000943562 0.0000126783
Brugia malayi hypoxia-induced factor 1 0.0296615 0.0226549 0.0226457
Trypanosoma brucei membrane transporter protein, putative 0.00922315 0.0059038 0.00793273
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.011339 0.0076379 0.946643
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0118491 0.00805602 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0141371 0.00993122 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.00203134 0.00000943562 0.00000943562
Echinococcus multilocularis thymidylate synthase 0.011339 0.0076379 0.0076379
Schistosoma mansoni caspase-7 (C14 family) 0.01009 0.00661425 0.00661425
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.011339 0.0076379 0.0076379
Brugia malayi Telomerase reverse transcriptase 0.0912897 0.0731651 0.0731563
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.00249066 0.000385892 0.000518509
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.00462365 0.00213408 0.24429
Trichomonas vaginalis guanylate cyclase, putative 0.00249066 0.000385892 0.027332

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3 ng ml-1 In vitro antimalarial activity of the compound against W-2 clone of P. falciparum. ChEMBL. 7861408
IC50 (functional) = 3 ng ml-1 In vitro antimalarial activity of the compound against W-2 clone of P. falciparum. ChEMBL. 7861408
IC50 (functional) = 8 ng ml-1 In vitro antimalarial activity of the compound against D-6 clone of P. falciparum. ChEMBL. 7861408
IC50 (functional) = 8 ng ml-1 In vitro antimalarial activity of the compound against D-6 clone of P. falciparum. ChEMBL. 7861408
Log RA (functional) = 0.75 Antimalarial activity of the compound was determined against chloroquine-resistant, mefloquine-sensitive Plasmodium falciparum W-2 clone ChEMBL. 11784134

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 7861408

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

1 literature reference was collected for this gene.

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