Detailed information for compound 2168734

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 637.194 | Formula: C36H36BrN3O3
  • H donors: 1 H acceptors: 3 LogP: 7.82 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCOc1nc2ccccc2cc1C(C(c1ccc(cc1)Br)(CCN(C)C)O)c1cc2ccccc2nc1OCC=C
  • InChi: InChI=1S/C36H36BrN3O3/c1-5-21-42-34-29(23-25-11-7-9-13-31(25)38-34)33(36(41,19-20-40(3)4)27-15-17-28(37)18-16-27)30-24-26-12-8-10-14-32(26)39-35(30)43-22-6-2/h5-18,23-24,33,41H,1-2,19-22H2,3-4H3
  • InChiKey: TXZGGVBUNOVBHL-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Probable ATP synthase gamma chain AtpG No references
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) No references
Mycobacterium tuberculosis Probable ATP synthase delta chain AtpH No references
Mycobacterium tuberculosis Probable ATP synthase epsilon chain AtpC No references
Mycobacterium tuberculosis Probable ATP synthase B chain AtpF No references
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD No references
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) No references
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva ATP synthase F1, alpha chain, putative Get druggable targets OG5_127165 All targets in OG5_127165
Schistosoma japonicum ko:K02136 F-type H+-transporting ATPase gamma chain, putative Get druggable targets OG5_127077 All targets in OG5_127077
Candida albicans likely ATP synthase similar to S. cerevisiae ATP3 (YBR039W) gamma subunit of F1-ATP synthase Get druggable targets OG5_127077 All targets in OG5_127077
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog Get druggable targets OG5_127165 All targets in OG5_127165
Mycobacterium leprae PROBABLE ATP SYNTHASE B CHAIN ATPF Get druggable targets OG5_134191 All targets in OG5_134191
Plasmodium knowlesi ATP synthase subunit beta, mitochondrial, putative Get druggable targets OG5_127099 All targets in OG5_127099
Cryptosporidium hominis ATP synthase beta chain, mitochondrial precursor Get druggable targets OG5_127099 All targets in OG5_127099
Brugia malayi ATP synthase delta chain, mitochondrial precursor, putative Get druggable targets OG5_127404 All targets in OG5_127404
Loa Loa (eye worm) ATP synthase subunit beta Get druggable targets OG5_127099 All targets in OG5_127099
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania mexicana ATPase alpha subunit, putative Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania major ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania braziliensis ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Cryptosporidium parvum ATP synthase beta chain, mitochondrial precursor, putative Get druggable targets OG5_127099 All targets in OG5_127099
Echinococcus granulosus ATP synthase subunit beta mitochondrial Get druggable targets OG5_127099 All targets in OG5_127099
Trypanosoma brucei ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Plasmodium knowlesi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania donovani ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Leishmania infantum ATPase alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Theileria parva ATP synthase F1, beta chain, putative Get druggable targets OG5_127099 All targets in OG5_127099
Schistosoma japonicum ko:K02128 F-type H+-transporting ATPase subunit c, putative Get druggable targets OG5_126818 All targets in OG5_126818
Candida albicans allele is intact Get druggable targets OG5_127077 All targets in OG5_127077
Neospora caninum ATP synthase, putative Get druggable targets OG5_127404 All targets in OG5_127404
Trypanosoma congolense ATP synthase F1, alpha subunit, putative Get druggable targets OG5_127165 All targets in OG5_127165
Schistosoma mansoni ATP synthase alpha subunit mitochondrial Get druggable targets OG5_127165 All targets in OG5_127165
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni ATP synthase lipid-binding protein-like protein Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania mexicana ATPase alpha subunit, putative Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania donovani ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD Get druggable targets OG5_127099 All targets in OG5_127099
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) Get druggable targets OG5_128903 All targets in OG5_128903
Trypanosoma brucei ATP synthase subunit beta, mitochondrial Get druggable targets OG5_127099 All targets in OG5_127099
Candida albicans ATPase subunit 6 Get druggable targets OG5_128903 All targets in OG5_128903
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative Get druggable targets OG5_127165 All targets in OG5_127165
Cryptosporidium hominis ATP synthase alpha chain Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania infantum ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Trypanosoma brucei ATP synthase F1, alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Schistosoma mansoni ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Mycobacterium tuberculosis Probable ATP synthase delta chain AtpH Get druggable targets OG5_134191 All targets in OG5_134191
Leishmania infantum ATPase alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Babesia bovis ATP synthase F1, alpha subunit family protein Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania major ATPase alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania braziliensis ATPase alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Mycobacterium ulcerans F0F1 ATP synthase subunit epsilon Get druggable targets OG5_127404 All targets in OG5_127404
Mycobacterium leprae PROBABLE ATP SYNTHASE GAMMA CHAIN ATPG Get druggable targets OG5_127077 All targets in OG5_127077
Schistosoma mansoni ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Plasmodium vivax ATP synthase subunit beta, mitochondrial, putative Get druggable targets OG5_127099 All targets in OG5_127099
Leishmania braziliensis ATP synthase F1 subunit gamma protein Get druggable targets OG5_127077 All targets in OG5_127077
Trypanosoma brucei gambiense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania major ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania infantum ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium tuberculosis Probable ATP synthase B chain AtpF Get druggable targets OG5_134191 All targets in OG5_134191
Neospora caninum ATP synthase lipid-binding protein, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni ATP synthase delta chain mitochondrial Get druggable targets OG5_127404 All targets in OG5_127404
Neospora caninum ATP synthase gama chain, putative Get druggable targets OG5_127077 All targets in OG5_127077
Mycobacterium leprae PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC Get druggable targets OG5_127404 All targets in OG5_127404
Schistosoma mansoni ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Schistosoma japonicum IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128903 All targets in OG5_128903
Neospora caninum hypothetical protein Get druggable targets OG5_127165 All targets in OG5_127165
Plasmodium vivax ATP synthase lipid-binding protein, mitochondrial precursor, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei gambiense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei gambiense ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Mycobacterium tuberculosis Probable ATP synthase epsilon chain AtpC Get druggable targets OG5_127404 All targets in OG5_127404
Leishmania major ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Trypanosoma brucei Mitochondrial ATP synthase subunit c-3 Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium falciparum ATP synthase subunit delta, mitochondrial, putative Get druggable targets OG5_127404 All targets in OG5_127404
Leishmania infantum ATPase beta subunit, putative Get druggable targets OG5_127099 All targets in OG5_127099
Echinococcus multilocularis ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Theileria parva ATP synthase F1, gamma chain, putative Get druggable targets OG5_127077 All targets in OG5_127077
Theileria parva ATP synthase F0, subunit C, putative Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium vivax ATP synthase subunit gamma, mitochondrial, putative Get druggable targets OG5_127077 All targets in OG5_127077
Brugia malayi ATP synthase lipid-binding protein, mitochondrial precursor Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium ulcerans F0F1 ATP synthase subunit B Get druggable targets OG5_134191 All targets in OG5_134191
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni ATP synthase beta subunit Get druggable targets OG5_127099 All targets in OG5_127099
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Leishmania mexicana ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Leishmania donovani ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium ulcerans F0F1 ATP synthase subunit A Get druggable targets OG5_128903 All targets in OG5_128903
Leishmania donovani ATP synthase subunit beta, mitochondrial, putative Get druggable targets OG5_127099 All targets in OG5_127099
Leishmania mexicana ATPase beta subunit, putative Get druggable targets OG5_127099 All targets in OG5_127099
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127077 All targets in OG5_127077
Mycobacterium tuberculosis Probable ATP synthase gamma chain AtpG Get druggable targets OG5_127077 All targets in OG5_127077
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha Get druggable targets OG5_127165 All targets in OG5_127165
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) Get druggable targets OG5_126818 All targets in OG5_126818
Babesia bovis ATP synthase F1 gamma subunit, putative Get druggable targets OG5_127077 All targets in OG5_127077
Leishmania donovani ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Brugia malayi ATP synthase gamma chain, mitochondrial precursor, putative Get druggable targets OG5_127077 All targets in OG5_127077
Trypanosoma brucei gambiense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei hypothetical protein Get druggable targets OG5_126818 All targets in OG5_126818
Candida albicans C terminus of mitochondrial F1F0 H+ATPase Get druggable targets OG5_127165 All targets in OG5_127165
Trypanosoma brucei Mitochondrial ATP synthase subunit c-1 Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma congolense ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Leishmania donovani ATP synthase F1, alpha subunit, putative Get druggable targets OG5_127165 All targets in OG5_127165
Trypanosoma cruzi ATP synthase subunit beta, mitochondrial, putative Get druggable targets OG5_127099 All targets in OG5_127099
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127404 All targets in OG5_127404
Trypanosoma brucei gambiense ATP synthase beta chain, mitochondrial precursor,ATP synthase F1, beta subunit Get druggable targets OG5_127099 All targets in OG5_127099
Babesia bovis ATP synthase F1 beta chain, putative Get druggable targets OG5_127099 All targets in OG5_127099
Leishmania mexicana ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei ATP synthase F1, alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania mexicana ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Theileria parva ATP synthase F1, delta subunit, putative Get druggable targets OG5_127404 All targets in OG5_127404
Trypanosoma brucei gambiense ATP synthase alpha chain, mitochondrial precursor, putative Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania major ATPase beta subunit, putative Get druggable targets OG5_127099 All targets in OG5_127099
Mycobacterium ulcerans F0F1 ATP synthase subunit beta Get druggable targets OG5_127099 All targets in OG5_127099
Onchocerca volvulus ATP synthase subunit delta, mitochondrial homolog Get druggable targets OG5_127404 All targets in OG5_127404
Mycobacterium leprae PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6) Get druggable targets OG5_128903 All targets in OG5_128903
Plasmodium berghei ATP synthase subunit C, putative Get druggable targets OG5_126818 All targets in OG5_126818
Echinococcus multilocularis ATP synthase subunit beta, mitochondrial Get druggable targets OG5_127099 All targets in OG5_127099
Candida albicans ATPase subunit 9 Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania donovani ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Plasmodium vivax ATP synthase alpha chain, putative Get druggable targets OG5_127165 All targets in OG5_127165
Toxoplasma gondii ATP synthase beta subunit ATP-B Get druggable targets OG5_127099 All targets in OG5_127099
Babesia bovis ATP synthase subunit C family protein Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania braziliensis ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Candida albicans C terminus of mitochondrial F1F0 H+ATPase Get druggable targets OG5_127165 All targets in OG5_127165
Plasmodium knowlesi ATP synthase subunit gamma, mitochondrial, putative Get druggable targets OG5_127077 All targets in OG5_127077
Schistosoma mansoni ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Plasmodium yoelii ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium yoelii ATP synthase F1, alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Echinococcus granulosus ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania major ATPase beta subunit, putative Get druggable targets OG5_127099 All targets in OG5_127099
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania major ATPase alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
Plasmodium yoelii ATP synthase F1, gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Trypanosoma brucei mitochondrial ATP synthase delta chain Get druggable targets OG5_127404 All targets in OG5_127404
Plasmodium berghei ATP synthase subunit delta, mitochondrial, putative Get druggable targets OG5_127404 All targets in OG5_127404
Mycobacterium ulcerans F0F1 ATP synthase subunit C Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium ulcerans F0F1 ATP synthase subunit gamma Get druggable targets OG5_127077 All targets in OG5_127077
Echinococcus multilocularis mitochondrial ATP synthase subunit 9 Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A Get druggable targets OG5_128903 All targets in OG5_128903
Treponema pallidum flagellum-specific ATP synthase (fliI) Get druggable targets OG5_127099 All targets in OG5_127099
Schistosoma mansoni ATP synthase lipid-binding protein-like protein Get druggable targets OG5_126818 All targets in OG5_126818
Candida albicans beta subunit of mitochondrial F1F0-ATPase Get druggable targets OG5_127099 All targets in OG5_127099
Echinococcus granulosus mitochondrial ATP synthase subunit 9 Get druggable targets OG5_126818 All targets in OG5_126818
Loa Loa (eye worm) ATP synthase subunit delta Get druggable targets OG5_127404 All targets in OG5_127404
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit beta Get druggable targets OG5_127099 All targets in OG5_127099
Toxoplasma gondii ATP synthase F0 subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Onchocerca volvulus ATP synthase subunit gamma, mitochondrial homolog Get druggable targets OG5_127077 All targets in OG5_127077
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit C Get druggable targets OG5_126818 All targets in OG5_126818
Echinococcus granulosus ATP synthase subunit alpha mitochondrial Get druggable targets OG5_127165 All targets in OG5_127165
Toxoplasma gondii ATP synthase F1 gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Cryptosporidium parvum ATP synthase alpha chain Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania infantum ATPase beta subunit, putative Get druggable targets OG5_127099 All targets in OG5_127099
Leishmania infantum ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Schistosoma japonicum ko:K02134 F-type H+-transporting ATPase delta chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit epsilon Get druggable targets OG5_127404 All targets in OG5_127404
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD Get druggable targets OG5_127099 All targets in OG5_127099
Leishmania mexicana Get druggable targets OG5_127099 All targets in OG5_127099
Brugia malayi ATP synthase beta chain, mitochondrial precursor, putative Get druggable targets OG5_127099 All targets in OG5_127099
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni ATP synthase gamma subunit Get druggable targets OG5_127077 All targets in OG5_127077
Candida albicans beta subunit of mitochondrial F1F0-ATPase Get druggable targets OG5_127099 All targets in OG5_127099
Plasmodium falciparum ATP synthase subunit beta, mitochondrial Get druggable targets OG5_127099 All targets in OG5_127099
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_127099 All targets in OG5_127099
Plasmodium knowlesi ATP synthase F1, alpha subunit, putative Get druggable targets OG5_127165 All targets in OG5_127165
Schistosoma japonicum IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128903 All targets in OG5_128903
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Plasmodium berghei ATP synthase subunit gamma, mitochondrial, putative Get druggable targets OG5_127077 All targets in OG5_127077
Leishmania infantum ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania braziliensis ATPase beta subunit, putative Get druggable targets OG5_127099 All targets in OG5_127099
Candida albicans ATP synthase delta subunit Get druggable targets OG5_127404 All targets in OG5_127404
Plasmodium vivax hypothetical protein, conserved Get druggable targets OG5_127404 All targets in OG5_127404
Babesia bovis ATP synthase, Delta/Epsilon chain, beta-sandwich domain containing protein Get druggable targets OG5_127404 All targets in OG5_127404
Plasmodium falciparum ATP synthase subunit gamma, mitochondrial Get druggable targets OG5_127077 All targets in OG5_127077
Chlamydia trachomatis type III secretion system ATPase Get druggable targets OG5_127099 All targets in OG5_127099
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit gamma Get druggable targets OG5_127077 All targets in OG5_127077
Trypanosoma congolense ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Leishmania braziliensis ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial Get druggable targets OG5_127165 All targets in OG5_127165
Toxoplasma gondii ATP synthase, putative Get druggable targets OG5_127404 All targets in OG5_127404
Plasmodium yoelii ATP synthase F1, beta subunit Get druggable targets OG5_127099 All targets in OG5_127099
Plasmodium berghei ATP synthase subunit beta, mitochondrial Get druggable targets OG5_127099 All targets in OG5_127099
Plasmodium knowlesi ATP synthase subunit delta, mitochondrial, putative Get druggable targets OG5_127404 All targets in OG5_127404
Schistosoma mansoni ATP synthase F0 subunit 6 Get druggable targets OG5_128903 All targets in OG5_128903
Plasmodium falciparum ATP synthase subunit C, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei Mitochondrial ATP synthase subunit c-2 Get druggable targets OG5_126818 All targets in OG5_126818
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha Get druggable targets OG5_127165 All targets in OG5_127165
Plasmodium berghei ATP synthase F1, alpha subunit, putative Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania mexicana Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania major ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Leishmania major ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma japonicum IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128903 All targets in OG5_128903
Schistosoma japonicum IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128903 All targets in OG5_128903
Schistosoma japonicum ko:K02132 F-type H+-transporting ATPase alpha chain, putative Get druggable targets OG5_127165 All targets in OG5_127165
Echinococcus granulosus 5'partial|ATP synthase subunit delta mitochondrial Get druggable targets OG5_127404 All targets in OG5_127404
Trypanosoma cruzi ATP synthase, epsilon chain, putative Get druggable targets OG5_127404 All targets in OG5_127404
Trypanosoma congolense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Neospora caninum ATP synthase subunit beta (EC 3.6.3.14), related Get druggable targets OG5_127099 All targets in OG5_127099
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA Get druggable targets OG5_127165 All targets in OG5_127165
Leishmania mexicana ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei gambiense ATP synthase F1 subunit gamma protein, putative Get druggable targets OG5_127077 All targets in OG5_127077
Echinococcus multilocularis ATP synthase subunit delta, mitochondrial Get druggable targets OG5_127404 All targets in OG5_127404
Plasmodium falciparum ATP synthase F1, alpha subunit Get druggable targets OG5_127165 All targets in OG5_127165
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum V-type proton ATPase subunit B Probable ATP synthase beta chain AtpD 486 aa 437 aa 23.3 %
Toxoplasma gondii ATP synthase beta subunit ATP-B Probable ATP synthase alpha chain AtpA 549 aa 495 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi ATPase subunit 9, putative 0.0065 0.0201 0.6511
Trypanosoma cruzi ATPase subunit 9, putative 0.0065 0.0201 0.6511
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative 0.0061 0.0182 0.5503
Mycobacterium leprae PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6) 0.0217 0.1034 0.0875
Mycobacterium ulcerans F0F1 ATP synthase subunit epsilon 0.0077 0.0268 0.0193
Echinococcus granulosus mitochondrial ATP synthase subunit 9 0.0065 0.0201 0.4646
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0217 0.1034 0.528
Mycobacterium leprae PROBABLE ATP SYNTHASE DELTA CHAIN ATPH 0.0388 0.1969 0.1835
Echinococcus multilocularis mitochondrial ATP synthase subunit 9 0.0065 0.0201 0.4646
Toxoplasma gondii ATP synthase, putative 0.0077 0.0268 1
Schistosoma mansoni ATP synthase gamma subunit 0.0061 0.0182 0.2157
Schistosoma mansoni ATP synthase gamma subunit 0.0061 0.0182 0.2157
Echinococcus multilocularis ATP synthase gamma subunit 0.0061 0.0182 0.3927
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit C 0.0065 0.0201 0.0684
Trypanosoma brucei mitochondrial ATP synthase delta chain 0.0077 0.0268 1
Chlamydia trachomatis type III secretion system ATPase 0.0042 0.0077 0.5
Plasmodium falciparum ATP synthase subunit delta, mitochondrial, putative 0.0077 0.0268 0.7136
Brugia malayi ATP synthase delta chain, mitochondrial precursor, putative 0.0077 0.0268 0.7136
Trypanosoma cruzi ATPase subunit 9, putative 0.0065 0.0201 0.6511
Mycobacterium ulcerans F0F1 ATP synthase subunit B 0.1844 0.9921 1
Leishmania major ATP synthase F1 subunit gamma protein, putative 0.0061 0.0182 0.5503
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) 0.0065 0.0201 0.002
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.0091 0.0344 0.0271
Trypanosoma cruzi ATPase subunit 9, putative 0.0065 0.0201 0.6511
Leishmania major ATP synthase, epsilon chain, putative 0.0077 0.0268 1
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.0065 0.0201 0.2552
Trypanosoma cruzi ATP synthase, epsilon chain, putative 0.0077 0.0268 1
Schistosoma mansoni ATP synthase gamma subunit 0.0061 0.0182 0.2157
Onchocerca volvulus ATP synthase subunit delta, mitochondrial homolog 0.0077 0.0268 0.5284
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) 0.0065 0.0201 0.002
Treponema pallidum flagellum-specific ATP synthase (fliI) 0.0042 0.0077 0.5
Loa Loa (eye worm) ATP synthase subunit delta 0.0077 0.0268 1
Leishmania major ATPase alpha subunit 0.0077 0.0267 0.9966
Schistosoma mansoni ATP synthase gamma subunit 0.0061 0.0182 0.2157
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.0091 0.0344 0.0165
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.0091 0.0344 0.0166
Toxoplasma gondii ATP synthase F1 gamma subunit 0.0061 0.0182 0.5503
Mycobacterium leprae PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC 0.0077 0.0268 0.0088
Leishmania major ATPase subunit 9, putative 0.0065 0.0201 0.6511
Toxoplasma gondii ATP synthase F0 subunit 9, putative 0.0065 0.0201 0.6511
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0091 0.0344 1
Plasmodium vivax ATP synthase alpha chain, putative 0.0091 0.0344 1
Trypanosoma cruzi ATPase subunit 9, putative 0.0065 0.0201 0.6511
Mycobacterium tuberculosis Probable ATP synthase B chain AtpF 0.1844 0.9921 0.9919
Loa Loa (eye worm) hypothetical protein 0.0061 0.0182 0.6799
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit B 0.0374 0.1889 1
Trypanosoma brucei hypothetical protein 0.0057 0.0156 0.4151
Trypanosoma brucei Mitochondrial ATP synthase subunit c-2 0.0065 0.0201 0.6511
Mycobacterium ulcerans F0F1 ATP synthase subunit C 0.0065 0.0201 0.0126
Trypanosoma brucei Mitochondrial ATP synthase subunit c-1 0.0065 0.0201 0.6511
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.0091 0.0344 1
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit epsilon 0.0077 0.0268 0.1051
Plasmodium vivax ATP synthase lipid-binding protein, mitochondrial precursor, putative 0.0065 0.0201 0.4646
Plasmodium falciparum ATP synthase F1, alpha subunit 0.0091 0.0344 1
Schistosoma mansoni ATP synthase gamma subunit 0.0061 0.0182 0.2157
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0217 0.1034 0.0868
Schistosoma mansoni ATP synthase delta chain mitochondrial 0.0077 0.0268 0.392
Schistosoma mansoni ATP synthase F0 subunit 6 0.0131 0.0563 1
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0077 0.0267 0.9966
Leishmania major ATPase subunit 9, putative 0.0065 0.0201 0.6511
Plasmodium falciparum ATP synthase subunit gamma, mitochondrial 0.0061 0.0182 0.3927
Leishmania major ATPase subunit 9, putative 0.0065 0.0201 0.6511
Mycobacterium ulcerans F0F1 ATP synthase subunit gamma 0.0061 0.0182 0.0106
Brugia malayi ATP synthase gamma chain, mitochondrial precursor, putative 0.0061 0.0182 0.3927
Trypanosoma brucei ATP synthase F1 subunit gamma protein, putative 0.0061 0.0182 0.5503
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0217 0.1034 0.0972
Mycobacterium leprae PROBABLE ATP SYNTHASE B CHAIN ATPF 0.1844 0.9921 1
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.0091 0.0344 1
Plasmodium vivax ATP synthase subunit gamma, mitochondrial, putative 0.0061 0.0182 0.3927
Mycobacterium tuberculosis Probable ATP synthase epsilon chain AtpC 0.0077 0.0268 0.0087
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.0097 0.0378 0.0201
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.0091 0.0344 1
Brugia malayi ATP synthase lipid-binding protein, mitochondrial precursor 0.0065 0.0201 0.4646
Trypanosoma brucei Mitochondrial ATP synthase subunit c-3 0.0065 0.0201 0.6511
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit gamma 0.0061 0.0182 0.0578
Plasmodium falciparum ATP synthase subunit C, putative 0.0065 0.0201 0.4646
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative 0.0061 0.0182 0.5503
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0268 0.7136
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.0065 0.0201 0.2552
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.0091 0.0344 0.5494
Leishmania major ATPase alpha subunit 0.0077 0.0267 0.9966
Mycobacterium ulcerans F0F1 ATP synthase subunit delta 0.0388 0.1969 0.1922
Echinococcus granulosus 5'partial|ATP synthase subunit delta mitochondrial 0.0077 0.0268 0.7136
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0077 0.0267 0.9966
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.0097 0.0378 0.0199
Echinococcus multilocularis ATP synthase subunit delta, mitochondrial 0.0077 0.0268 0.7136
Echinococcus granulosus ATP synthase gamma subunit 0.0061 0.0182 0.3927
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.0091 0.0344 0.1473

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.28 uM Inhibition of Mycobacterium tuberculosis ATP synthase ChEMBL. No reference
MIC (functional) Antitubercular activity against multi drug resistant Mycobacterium tuberculosis isolate 1 assessed as growth inhibition after 4 weeks ChEMBL. No reference
MIC (functional) Antitubercular activity against multi drug resistant Mycobacterium tuberculosis isolate 2 assessed as growth inhibition after 4 weeks ChEMBL. No reference
MIC (functional) > 50 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition after 4 weeks ChEMBL. No reference

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

No literature references available for this target.

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