Detailed information for compound 1833097

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.456 | Formula: C18H21N5O3S
  • H donors: 2 H acceptors: 4 LogP: 2.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)Nc1nc2c(s1)n(C(C)C)c(=O)c(c2)c1ccc(nc1)OC
  • InChi: 1S/C18H21N5O3S/c1-5-19-17(25)22-18-21-13-8-12(11-6-7-14(26-4)20-9-11)15(24)23(10(2)3)16(13)27-18/h6-10H,5H2,1-4H3,(H2,19,21,22,25)
  • InChiKey: IFJKXJLNGMWOHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium smegmatis DNA gyrase subunit B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Chlamydia trachomatis DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania major mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium ulcerans DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania donovani mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania infantum mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium berghei DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Neospora caninum hypothetical protein Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma brucei DNA topoisomerase ii Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma brucei gambiense DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania mexicana mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Theileria parva DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Babesia bovis DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Leishmania braziliensis mitochondrial DNA topoisomerase II Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) Get druggable targets OG5_128755 All targets in OG5_128755
Treponema pallidum DNA gyrase, subunit B (gyrB) Get druggable targets OG5_128755 All targets in OG5_128755
Trypanosoma congolense DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium yoelii DNA topoisomerase II, putative Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium vivax DNA gyrase subunit B, putative Get druggable targets OG5_128755 All targets in OG5_128755
Plasmodium falciparum DNA gyrase subunit B Get druggable targets OG5_128755 All targets in OG5_128755
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 692 aa 24.4 %
Trichomonas vaginalis DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 585 aa 22.4 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 644 aa 24.2 %
Leishmania major DNA topoisomerase ii DNA gyrase subunit B   675 aa 562 aa 24.2 %
Trypanosoma brucei DNA topoisomerase II beta, putative DNA gyrase subunit B   675 aa 644 aa 24.2 %
Onchocerca volvulus Ectoderm-expressed 4 homolog DNA gyrase subunit B   675 aa 657 aa 23.1 %
Dictyostelium discoideum DNA topoisomerase II DNA gyrase subunit B   675 aa 692 aa 24.1 %
Echinococcus multilocularis DNA topoisomerase 2 alpha DNA gyrase subunit B   675 aa 570 aa 24.2 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase subunit B   675 aa 596 aa 24.2 %
Leishmania donovani DNA topoisomerase ii DNA gyrase subunit B   675 aa 562 aa 23.8 %
Giardia lamblia DNA topoisomerase II DNA gyrase subunit B   675 aa 623 aa 23.1 %
Trypanosoma brucei DNA topoisomerase II alpha, putative DNA gyrase subunit B   675 aa 690 aa 24.5 %
Leishmania braziliensis DNA topoisomerase ii DNA gyrase subunit B   675 aa 691 aa 23.6 %
Plasmodium yoelii DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 741 aa 22.9 %
Leishmania infantum DNA topoisomerase ii DNA gyrase subunit B   675 aa 642 aa 24.3 %
Theileria parva DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 611 aa 22.6 %
Toxoplasma gondii DNA topoisomerase 2, putative DNA gyrase subunit B   675 aa 690 aa 25.1 %
Leishmania mexicana DNA topoisomerase ii DNA gyrase subunit B   675 aa 559 aa 23.8 %
Onchocerca volvulus DNA gyrase subunit B   675 aa 578 aa 22.8 %
Brugia malayi Probable DNA topoisomerase II DNA gyrase subunit B   675 aa 582 aa 23.0 %
Echinococcus granulosus DNA topoisomerase 2 alpha DNA gyrase subunit B   675 aa 570 aa 24.4 %
Onchocerca volvulus DNA gyrase subunit B   675 aa 622 aa 22.3 %
Brugia malayi DNA topoisomerase II, alpha isozyme DNA gyrase subunit B   675 aa 613 aa 22.5 %
Candida albicans DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) DNA gyrase subunit B   675 aa 596 aa 24.2 %
Trypanosoma brucei gambiense DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 690 aa 24.5 %
Schistosoma mansoni DNA topoisomerase II DNA gyrase subunit B   675 aa 628 aa 24.2 %
Loa Loa (eye worm) TOPoisomerase family member DNA gyrase subunit B   675 aa 579 aa 22.5 %
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein DNA gyrase subunit B   675 aa 612 aa 22.9 %
Trypanosoma cruzi DNA topoisomerase II, putative DNA gyrase subunit B   675 aa 692 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0036 0.0416 0.0273
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.033 0.0535
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0236 0.1461
Onchocerca volvulus 0.0042 0.0555 0.0718
Mycobacterium ulcerans DNA gyrase subunit B 0.0153 0.2946 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.027 0.5468 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0153 0.2946 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.033 0.033
Leishmania major importin beta-1 subunit, putative 0.0027 0.0236 0.041
Chlamydia trachomatis DNA gyrase subunit B 0.0153 0.2946 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0555 0.0555
Echinococcus multilocularis snurportin 1 0.0361 0.7438 0.7438
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0555 0.0909
Giardia lamblia DNA topoisomerase II 0.0031 0.0312 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.033 0.033
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0006 0.0006
Echinococcus granulosus cpg binding protein 0.007 0.1159 0.1159
Schistosoma mansoni ran 0.0025 0.0181 0.0181
Schistosoma mansoni cpg binding protein 0.0066 0.1077 0.1077
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.033 0.0535
Brugia malayi hypothetical protein 0.0177 0.347 0.573
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.033 0.033
Brugia malayi nuclear receptor NHR-88 0.0032 0.033 0.0535
Echinococcus multilocularis GPCR, family 2 0.0037 0.0443 0.0443
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0443 0.0722
Schistosoma mansoni DNA topoisomerase II 0.0036 0.0416 0.0416
Echinococcus granulosus transcription factor eb 0.0127 0.2377 0.2377
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.033 0.0535
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.033 0.0535
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.033 0.033
Schistosoma mansoni coup transcription factor 0.0032 0.033 0.033
Toxoplasma gondii ABC1 family protein 0.0042 0.0555 0.1718
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0126 0.2364 0.3172
Echinococcus granulosus snurportin 1 0.0361 0.7438 0.7438
Loa Loa (eye worm) hypothetical protein 0.017 0.3318 0.4456
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0236 0.1461
Echinococcus multilocularis transcription factor eb 0.0127 0.2377 0.2377
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0217 0.4325 0.4325
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.033 0.033
Leishmania major mitochondrial DNA topoisomerase II 0.0088 0.1553 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0036 0.0416 0.0273
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0181 0.0012
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0153 0.2946 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.033 0.033
Plasmodium vivax importin-beta 2, putative 0.0034 0.0374 0.0697
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.033 0.0535
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.033 0.033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0042 0.0555 0.0739
Loa Loa (eye worm) hypothetical protein 0.0042 0.0555 0.0739
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0555 0.2738
Leishmania major hypothetical protein, conserved 0.0042 0.0555 0.2738
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.033 0.0535
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0177 0.347 0.4661
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.033 0.0535
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.033 0.033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.033 0.0435
Trypanosoma brucei DNA topoisomerase ii 0.0088 0.1553 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.033 0.033
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.033 0.033
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0555 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.033 0.0535
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0555 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.033 0.0535
Schistosoma mansoni hypothetical protein 0.0397 0.8225 0.8225
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.033 0.033
Echinococcus granulosus GPCR family 2 0.0037 0.0443 0.0443
Plasmodium falciparum DNA topoisomerase 2 0.0036 0.0416 0.0848
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0053 0.0781 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0036 0.0416 0.0416
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.033 0.0535
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.033 0.033
Plasmodium vivax DNA gyrase subunit B, putative 0.0153 0.2946 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0555 0.0555
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.0443 0.0443
Toxoplasma gondii histone lysine methyltransferase SET1 0.0126 0.236 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.033 0.033
Toxoplasma gondii DNA topoisomerase 2, putative 0.0036 0.0416 0.1076
Entamoeba histolytica hypothetical protein 0.0027 0.0236 0.2332
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0374 0.1416
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.033 0.0535
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Loa Loa (eye worm) TOPoisomerase family member 0.0036 0.0416 0.0551
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0181 0.0181
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0555 0.0555
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0555 0.0555
Onchocerca volvulus 0.0042 0.0555 0.0718
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0236 0.1461
Echinococcus granulosus muscleblind protein 0.017 0.3318 0.3318
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0374 0.0374
Trichomonas vaginalis DNA topoisomerase II, putative 0.0036 0.0416 0.6264
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0127 0.2377 0.3922
Schistosoma mansoni thyroid hormone receptor 0.0032 0.033 0.033
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.033 0.033
Brugia malayi RNA, U transporter 1 0.0096 0.172 0.2835
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.033 0.033
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0021 0.0087 0.0087
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.033 0.033
Brugia malayi Probable DNA topoisomerase II 0.0036 0.0416 0.0677
Plasmodium vivax DNA topoisomerase II, putative 0.0036 0.0416 0.0848
Schistosoma mansoni cpg binding protein 0.007 0.1159 0.1159
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.033 0.033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.033 0.0435
Brugia malayi Importin beta-1 subunit 0.0034 0.0374 0.0608
Loa Loa (eye worm) hypothetical protein 0.017 0.3318 0.4456
Brugia malayi Calcitonin receptor-like protein seb-1 0.0117 0.2168 0.3577
Echinococcus granulosus importin subunit beta 1 0.0034 0.0374 0.0374
Schistosoma mansoni hypothetical protein 0.0397 0.8225 0.8225
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0181 0.0289
Schistosoma mansoni importin beta-1 0.0034 0.0374 0.0374
Echinococcus multilocularis muscleblind protein 0.017 0.3318 0.3318
Schistosoma mansoni hypothetical protein 0.0361 0.7438 0.7438
Loa Loa (eye worm) CXXC zinc finger family protein 0.0066 0.1077 0.1441
Echinococcus multilocularis cpg binding protein 0.007 0.1159 0.1159
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0443 0.0587
Leishmania major GTP-binding protein, putative 0.0025 0.0181 0.0012
Brugia malayi ecdysteroid receptor 0.0032 0.033 0.0535
Brugia malayi steroid hormone receptor 0.0032 0.033 0.0535
Echinococcus granulosus geminin 0.0397 0.8225 0.8225
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0555 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.018 0.0233
Schistosoma mansoni hypothetical protein 0.0037 0.0443 0.0443
Onchocerca volvulus 0.0177 0.347 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.033 0.033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.033 0.0435
Brugia malayi latrophilin 2 splice variant baaae 0.008 0.137 0.2255
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Onchocerca volvulus 0.0042 0.0555 0.0718
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.033 0.033
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0181 0.0012
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.033 0.0435
Loa Loa (eye worm) hypothetical protein 0.0037 0.0443 0.0587
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0555 0.0739
Brugia malayi nuclear hormone receptor 0.0032 0.033 0.0535
Brugia malayi Muscleblind-like protein 0.017 0.3318 0.5479
Loa Loa (eye worm) hypothetical protein 0.0025 0.018 0.0233
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0153 0.2946 0.4867
Plasmodium falciparum DNA gyrase subunit B 0.0153 0.2946 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.033 0.0535
Loa Loa (eye worm) histone methyltransferase 0.0021 0.0087 0.0109
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0374 0.1416
Schistosoma mansoni hypothetical protein 0.008 0.137 0.137
Schistosoma mansoni ran 0.0025 0.0181 0.0181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.033 0.033
Onchocerca volvulus 0.0066 0.1077 0.2381
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0006 0.0006
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0181 0.0012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0217 0.4325 0.4325
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.033 0.033
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.033 0.0535
Echinococcus multilocularis muscleblind protein 1 0.017 0.3318 0.3318
Brugia malayi beta-lactamase 0.0042 0.0555 0.0909
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0374 0.0885
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0036 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Loa Loa (eye worm) hypothetical protein 0.0042 0.0555 0.0739
Loa Loa (eye worm) hypothetical protein 0.0297 0.6051 0.8134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0117 0.2168 0.2909
Loa Loa (eye worm) hypothetical protein 0.0042 0.0555 0.0739
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0555 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0181 0.0181
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0443 0.0443
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0088 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0555 0.0739
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0443 0.0722
Brugia malayi beta-lactamase family protein 0.0042 0.0555 0.0909
Brugia malayi beta-lactamase family protein 0.0042 0.0555 0.0909
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0555 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0088 0.1553 1
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0082 0.0125
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0297 0.6051 1
Echinococcus multilocularis geminin 0.0397 0.8225 0.8225
Loa Loa (eye worm) hypothetical protein 0.008 0.137 0.1834
Schistosoma mansoni hypothetical protein 0.0037 0.0443 0.0443
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0181 0.0235
Schistosoma mansoni cpg binding protein 0.007 0.1159 0.1159
Schistosoma mansoni hypothetical protein 0.0037 0.0443 0.0443
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0361 0.7438 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0034 0.0374 0.0495
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.033 0.033
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0141 0.2684 0.2684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.033 0.0435
Echinococcus granulosus FTZ F1 alpha 0.0032 0.033 0.033
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.033 0.0435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.033 0.0435
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Loa Loa (eye worm) beta-lactamase 0.0042 0.0555 0.0739
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0006 0.0006
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0036 0.0416 0.0273
Schistosoma mansoni thyroid hormone receptor 0.0032 0.033 0.033
Plasmodium falciparum importin beta, putative 0.0034 0.0374 0.0697
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0021 0.0087 0.0087
Entamoeba histolytica DNA topoisomerase II, putative 0.0036 0.0416 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0555 0.0739
Trichomonas vaginalis esterase, putative 0.0042 0.0555 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.033 0.0535
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0036 0.0416 0.0677
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.033 0.0535
Schistosoma mansoni hypothetical protein 0.0037 0.0443 0.0443
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0126 0.2364 0.3172
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0088 0.1553 0.6295
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.033 0.0435
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0555 0.2738
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0236 0.041
Brugia malayi CXXC zinc finger family protein 0.0066 0.1077 0.1772
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0555 0.1354
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.033 0.0535
Schistosoma mansoni nuclear hormone receptor 0.0032 0.033 0.033
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0036 0.0416 0.0677
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0555 0.2738

Activities

Activity type Activity value Assay description Source Reference
Fu (ADMET) = 5 % Fraction unbound in human plasma ChEMBL. 24405701
IC50 (binding) = 23 nM Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins ChEMBL. 24405701
MIC (functional) = 10 uM Antitubercular activity against Mycobacterium tuberculosis assessed as growth inhibition ChEMBL. 24405701

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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