Detailed information for compound 1196061

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1618.67 | Formula: C91H96BF2N10O13S+
  • H donors: 6 H acceptors: 9 LogP: 12.4 Rotable bonds: 42
    Rule of 5 violations (Lipinski): 3
  • SMILES: COc1ccc(cc1)c1ccc2n1[B-](F)(F)[N+]1=C(C)C(=C(C1=C2)C)CCC(=O)NCCCCCC(=O)NCCCC[C@H](C(=O)COC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1c1c2cc/c(=[N+](\c3ccccc3)/C)/cc2oc2c1ccc(c2)Nc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
  • InChi: 1S/C91H95BF2N10O13S/c1-61-73(62(2)103-80(61)56-71-40-46-79(104(71)92(103,93)94)65-36-41-72(114-4)42-37-65)45-47-86(107)96-50-22-9-18-35-85(106)95-51-23-21-33-77(99-90(110)78(54-63-24-10-5-11-25-63)100-91(111)116-59-64-26-12-6-13-27-64)81(105)60-115-87(108)58-97-89(109)66-48-52-102(53-49-66)118(112,113)84-34-20-19-32-76(84)88-74-43-38-68(98-67-28-14-7-15-29-67)55-82(74)117-83-57-70(39-44-75(83)88)101(3)69-30-16-8-17-31-69/h5-8,10-17,19-20,24-32,34,36-44,46,55-57,66,77-78H,9,18,21-23,33,35,45,47-54,58-60H2,1-4H3,(H5,95,96,97,99,100,106,107,109,110,111)/p+1/t77-,78-/m1/s1
  • InChiKey: GVICJSZCXKHVGH-JHHHGUMYSA-O  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0018 0.0071
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0889 0.1309 0.5213
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0075 0.0074
Echinococcus granulosus importin subunit beta 1 0.0028 0.0027 0.0106
Schistosoma mansoni carbonic anhydrase-related 0.0889 0.1309 0.5213
Onchocerca volvulus Putative sulfate transporter 0.128 0.1891 1
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0027 0.0201
Mycobacterium ulcerans urease subunit beta UreB 0.0263 0.0376 0.0364
Mycobacterium ulcerans 6-phosphofructokinase 0.0226 0.0321 0.0308
Entamoeba histolytica phosphofructokinase, putative 0.0226 0.0321 0.207
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0226 0.0321 1
Onchocerca volvulus 0.0092 0.0121 0.0642
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0214 0.0304 0.1605
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0061 0.0075 0.0074
Schistosoma mansoni myst-related protein 0.0011 0.0001 0.0003
Plasmodium vivax sulfate transporter, putative 0.0204 0.0288 1
Schistosoma mansoni ran 0.0021 0.0015 0.0062
Plasmodium falciparum carbonic anhydrase 0.0889 0.1309 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0073 0.0291
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1696 0.2511 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.6096 0.9063 1
Echinococcus multilocularis GPCR, family 2 0.0048 0.0056 0.0221
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0552 0.0807 0.0878
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0075 0.0074
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0013 0.0035
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0018 0.0021
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0092 0.0368
Echinococcus granulosus dna polymerase eta 0.0019 0.0013 0.0051
Echinococcus granulosus carbonic anhydrase 0.0889 0.1309 0.5213
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0075 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.6725 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0056 0.0221
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0018 0.0071
Loa Loa (eye worm) hypothetical protein 0.0889 0.1309 0.5213
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0075 0.0074
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0889 0.1309 0.5213
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0226 0.0321 0.034
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0013 0.0035
Toxoplasma gondii histone lysine methyltransferase SET1 0.0174 0.0244 0.1861
Echinococcus multilocularis dna polymerase eta 0.0019 0.0013 0.0051
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0 0.0001
Toxoplasma gondii hypothetical protein 0.0889 0.1309 1
Plasmodium vivax importin-beta 2, putative 0.0028 0.0027 0.0406
Entamoeba histolytica phosphofructokinase, putative 0.0226 0.0321 0.207
Mycobacterium tuberculosis Urease gamma subunit UreA (urea amidohydrolase) 0.0263 0.0376 0.0401
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0018 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Schistosoma mansoni 6-phosphofructokinase 0.0226 0.0321 0.1277
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0446
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0204 0.0288 0.22
Echinococcus granulosus carbonic anhydrase II 0.1696 0.2511 1
Brugia malayi 6-phosphofructokinase 0.0226 0.0321 0.1277
Loa Loa (eye worm) carbonic anhydrase 3 0.1696 0.2511 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0061 0.0075 0.0483
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0013 0.0011
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0018 0.0055
Brugia malayi hypothetical protein 0.0011 0 0.0001
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0016 0.0014
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0018 0.0131
Schistosoma mansoni 6-phosphofructokinase 0.0226 0.0321 0.1277
Echinococcus multilocularis carbonic anhydrase 0.0889 0.1309 0.5213
Brugia malayi F/Y-rich N-terminus family protein 0.0028 0.0026 0.0105
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0019 0.0017
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0061 0.0075 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0061 0.0075 0.1901
Echinococcus granulosus GPCR family 2 0.0048 0.0056 0.0221
Loa Loa (eye worm) hypothetical protein 0.0019 0.0013 0.0051
Echinococcus granulosus geminin 0.0173 0.0242 0.0966
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0075 0.0074
Loa Loa (eye worm) hypothetical protein 0.0048 0.0056 0.0221
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0016 0.0014
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0056 0.0221
Trichomonas vaginalis phosphofructokinase, putative 0.0226 0.0321 0.032
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0221
Echinococcus granulosus carbonic anhydrase 0.0889 0.1309 0.5213
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0073 0.0291
Mycobacterium ulcerans urease subunit alpha 0.0552 0.0807 0.0796
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0018 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0131 0.052
Entamoeba histolytica hypothetical protein 0.0072 0.0092 0.0593
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0056 0.0221
Schistosoma mansoni dishevelled 0.0011 0 0.0001
Trichomonas vaginalis phosphofructokinase, putative 0.0226 0.0321 0.032
Schistosoma mansoni hypothetical protein 0.0103 0.0138 0.0549
Loa Loa (eye worm) hypothetical protein 0.0889 0.1309 0.5213
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0 0.0002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0092 0.0368
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0023 0.0019 0.0074
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1696 0.2511 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0018 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Loa Loa (eye worm) phosphofructokinase 0.0226 0.0321 0.1277
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0015 0.0046
Entamoeba histolytica hypothetical protein 0.0072 0.0092 0.0593
Echinococcus granulosus dna polymerase kappa 0.0019 0.0013 0.0051
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0 0.0001
Schistosoma mansoni ran 0.0021 0.0015 0.0062
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0056 0.0221
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0073 0.0241
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.1478 0.2186 0.2402
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0019 0.0017
Loa Loa (eye worm) hypothetical protein 0.0011 0 0.0001
Trichomonas vaginalis helicase, putative 0.0021 0.0016 0.0014
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0062
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0056 0.0221
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0013 0.0011
Loa Loa (eye worm) hypothetical protein 0.0011 0 0.0001
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0013 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Schistosoma mansoni cpg binding protein 0.0092 0.0121 0.0484
Loa Loa (eye worm) hypothetical protein 0.0214 0.0304 0.1209
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0073 0.0067
Echinococcus multilocularis geminin 0.0173 0.0242 0.0966
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0221
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0027 0.0106
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0 0.0001
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0018 0.0086
Trichomonas vaginalis phosphofructokinase, putative 0.0061 0.0075 0.0074
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0 0.0001
Echinococcus multilocularis carbonic anhydrase 0.0889 0.1309 0.5213
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0018 0.0017
Loa Loa (eye worm) hypothetical protein 0.0889 0.1309 0.5213
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0015 0.0062
Schistosoma mansoni importin beta-1 0.0028 0.0027 0.0106
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0013 0.0051
Schistosoma mansoni regulator of G protein signaling 0.0011 0 0.0001
Leishmania major carbonic anhydrase-like protein 0.1696 0.2511 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0013 0.0051
Mycobacterium ulcerans carbonic anhydrase 0.1049 0.1547 0.1536
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0015 0.0011
Mycobacterium ulcerans integral membrane transporter 0.0204 0.0288 0.0276
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0013 0.0051
Entamoeba histolytica hypothetical protein 0.0072 0.0092 0.0593
Schistosoma mansoni cpg binding protein 0.0097 0.0129 0.0515
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0138 0.0549
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0016 0.0014
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.042 0.061 0.066
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0018 0.0017
Echinococcus granulosus snurportin 1 0.0301 0.0432 0.1722
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0023 0.0019 0.0074
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0015 0.0011
Brugia malayi 6-phosphofructokinase 0.0226 0.0321 0.1277
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0016 0.0014
Schistosoma mansoni dep domain containing protein 0.0011 0 0.0001
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0889 0.1309 0.5213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0131 0.052
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0018 0.0071
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0018 0.0021
Echinococcus multilocularis snurportin 1 0.0301 0.0432 0.1722
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0028 0.0027 0.0107
Schistosoma mansoni hypothetical protein 0.0889 0.1309 0.5213
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0013 0.0077
Entamoeba histolytica hypothetical protein 0.0023 0.0019 0.0116
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0889 0.1309 0.5213
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0204 0.0288 0.1103
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.2107 0.3123 0.3436
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0023 0.0019 0.0074
Echinococcus multilocularis dnaJ subfamily B 0.0823 0.1211 0.4823
Onchocerca volvulus 0.0011 0 0.0002
Plasmodium falciparum importin beta, putative 0.0028 0.0027 0.0197
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0073 0.006
Brugia malayi N-terminal motif family protein 0.0214 0.0304 0.1209
Schistosoma mansoni carbonic anhydrase 0.1049 0.1547 0.616
Trichomonas vaginalis conserved hypothetical protein 0.6725 1 1
Schistosoma mansoni hypothetical protein 0.0301 0.0432 0.1722
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0013 0.0035
Toxoplasma gondii phosphofructokinase PFKII 0.0061 0.0075 0.0574
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0013 0.0035
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0018 0.0821
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0 0.0001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0131 0.052
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0092 0.0368
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0073 0.006
Plasmodium vivax 6-phosphofructokinase, putative 0.0061 0.0075 0.2197
Mycobacterium ulcerans urease subunit gamma 0.0263 0.0376 0.0364
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0016 0.0014
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0 0.0001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0018 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0131 0.052
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0073 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Toxoplasma gondii exonuclease III APE 0.0022 0.0018 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0 0.0001
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0061 0.0075 0.0571
Brugia malayi Importin beta-1 subunit 0.0028 0.0027 0.0106
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0018 0.0005
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0027 0.009
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0 0.0001
Schistosoma mansoni hypothetical protein 0.0072 0.0092 0.0368
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0131 0.052
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0061 0.0075 0.0571
Schistosoma mansoni carbonic anhydrase-related 0.0889 0.1309 0.5213
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0221
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.0209 0.0832
Loa Loa (eye worm) histone methyltransferase 0.0028 0.0027 0.0107
Mycobacterium leprae Probable transmembrane transport protein 0.1478 0.2186 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Schistosoma mansoni carbonic anhydrase 0.0889 0.1309 0.5213
Echinococcus granulosus carbonic anhydrase 0.0889 0.1309 0.5213
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0204 0.0288 0.0276
Leishmania major ATP-dependent phosphofructokinase 0.0226 0.0321 0.1233
Brugia malayi hypothetical protein 0.0011 0 0.0001
Schistosoma mansoni ap endonuclease 0.0022 0.0018 0.0071
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0015 0.0062
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0195 0.0275 0.1095
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0019 0.0024
Schistosoma mansoni myst-related protein 0.0011 0.0001 0.0003
Plasmodium vivax 6-phosphofructokinase, putative 0.0061 0.0075 0.2197
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0204 0.0288 0.1134
Echinococcus multilocularis cpg binding protein 0.0097 0.0129 0.0515
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.0209 0.0832
Schistosoma mansoni hypothetical protein 0.0823 0.1211 0.4823
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0023 0.0019 0.0074
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0889 0.1309 0.5213
Trichomonas vaginalis phosphofructokinase, putative 0.0226 0.0321 0.032
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Echinococcus multilocularis 6 phosphofructokinase 0.0226 0.0321 0.1277
Schistosoma mansoni z-protein (S1r protein) 0.0011 0 0.0001
Schistosoma mansoni cpg binding protein 0.0097 0.0129 0.0515
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0 0.0001
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0028 0.0027 0.0107
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0 0.0001
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0 0.0001
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1696 0.2511 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0889 0.1309 0.5213
Entamoeba histolytica phosphofructokinase, putative 0.0226 0.0321 0.207
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Onchocerca volvulus 0.128 0.1891 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0013 0.0051
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1696 0.2511 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0056 0.0221
Brugia malayi DIX domain containing protein 0.0011 0 0.0001
Schistosoma mansoni DNA polymerase eta 0.0019 0.0013 0.0051
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0204 0.0288 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Echinococcus granulosus dnaJ subfamily B 0.0823 0.1211 0.4823
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0019 0.0017
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0 0.0001
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0204 0.0288 0.0276
Loa Loa (eye worm) hypothetical protein 0.0028 0.0027 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Echinococcus granulosus mixed lineage leukemia protein mll 0.0023 0.0019 0.0074
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0013 0.0051
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0013 0.0051
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0829 0.1219 0.4854
Schistosoma mansoni dishevelled 0.0011 0 0.0001
Loa Loa (eye worm) CXXC zinc finger family protein 0.0092 0.0121 0.0484
Echinococcus granulosus 6 phosphofructokinase 0.0226 0.0321 0.1277
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1049 0.1547 0.6571
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0 0.0001
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0018 0.0006
Schistosoma mansoni hypothetical protein 0.0173 0.0242 0.0966
Brugia malayi hypothetical protein 0.0072 0.0092 0.0368
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0016 0.0014
Trypanosoma brucei carbonic anhydrase-like protein 0.1696 0.2511 1
Brugia malayi CXXC zinc finger family protein 0.0092 0.0121 0.0484
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0056 0.0221
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0073 0.0555
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0204 0.0288 0.2198
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0131 0.052
Brugia malayi phosphofructokinase 0.0226 0.0321 0.1277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0131 0.052
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1696 0.2511 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.0432 0.1722
Loa Loa (eye worm) 6-phosphofructokinase 0.0226 0.0321 0.1277
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.0209 0.0832
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0073 0.0291
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0131 0.052
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1696 0.2511 1
Trichomonas vaginalis ran, putative 0.0021 0.0015 0.0014
Schistosoma mansoni hypothetical protein 0.0048 0.0056 0.0221
Mycobacterium tuberculosis Urease beta subunit UreB (urea amidohydrolase) 0.0263 0.0376 0.0401
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0011 0 0.0001
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0062
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0015 0.0116
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0 0.0001
Toxoplasma gondii 6-phosphofructokinase 0.0061 0.0075 0.0574
Schistosoma mansoni ap endonuclease 0.0022 0.0018 0.0071
Brugia malayi RNA, U transporter 1 0.008 0.0104 0.0414
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1696 0.2511 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0061 0.0075 0.0574
Leishmania major importin beta-1 subunit, putative 0.0023 0.0019 0.0024
Echinococcus multilocularis carbonic anhydrase 0.0889 0.1309 0.5213
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0226 0.0321 0.1233
Loa Loa (eye worm) hypothetical protein 0.0151 0.0209 0.0832
Schistosoma mansoni carbonic anhydrase-related 0.0889 0.1309 0.5213
Entamoeba histolytica carbonic anhydrase, putative 0.1049 0.1547 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0013 0.0051
Chlamydia trachomatis sulfate transporter 0.0204 0.0288 1
Trypanosoma brucei unspecified product 0.0019 0.0013 0.0035
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0226 0.0321 0.1263
Leishmania major carbonic anhydrase family protein, putative 0.1049 0.1547 0.614
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.0014
Entamoeba histolytica Ran family GTPase 0.0021 0.0015 0.0095
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0131 0.052
Echinococcus multilocularis carbonic anhydrase II 0.1696 0.2511 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0004 0.0017
Trichomonas vaginalis phosphofructokinase, putative 0.0226 0.0321 0.032
Schistosoma mansoni hypothetical protein 0.0173 0.0242 0.0966
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0027 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0013 0.0035
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0073 0.0291
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0016 0.0014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0016 0.0014
Echinococcus granulosus cpg binding protein 0.0097 0.0129 0.0515
Loa Loa (eye worm) 6-phosphofructokinase 0.0226 0.0321 0.1277
Loa Loa (eye worm) hypothetical protein 0.0103 0.0138 0.0549
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0015 0.0113
Entamoeba histolytica hypothetical protein 0.0072 0.0092 0.0593
Leishmania major GTP-binding protein, putative 0.0021 0.0015 0.0011

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to cathepsin B in human MCF10A cells grown on reconstituted basement membrane exposed to 1 uM compounds assessed as protein labeling after 3 hrs by confocal fluorescence microscopy ChEMBL. 16408036
Activity (binding) Binding affinity to recombinant cathepsin X assessed as protein labeling at 0.1 to 10 uM after 30 mins using SDS-PAGE and Typhoon laser flatbed canning method ChEMBL. 16408036
Activity (binding) Binding affinity to cathepsin B in mouse NIH/3T3 cells monolayers assessed as protein labeling at 1 uM after 4 to 5 hrs by fluorescence microscopy ChEMBL. 16408036
Activity (binding) Binding affinity to cathepsin L in mouse NIH/3T3 cells assessed as protein labeling at 1 uM after 30 mins using SDS-PAGE and Typhoon laser flatbed canning method ChEMBL. 16408036
Activity (binding) Binding affinity to cathepsin B in mouse NIH/3T3 cells assessed as protein labeling at 1 uM after 30 mins using SDS-PAGE and Typhoon laser flatbed canning method ChEMBL. 16408036
INH (binding) = 275 /M/s Inhibition of bovine cathepsin B using Z-RR-AMC substrate assessed as inhibition association constant by fluorimetric assay ChEMBL. 16408036
INH (binding) = 7000 /M/s Inhibition of human cathepsin L using Z-FR-AMC substrate assessed as inhibition association constant by fluorimetric assay ChEMBL. 16408036

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.