Detailed information for compound 954084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 658.84 | Formula: C33H54O11S
  • H donors: 4 H acceptors: 6 LogP: 4.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2([C@@H](C1)O[C@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)OS(=O)(=O)O)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@]1(O2)CC[C@@H](CO1)C)C)C
  • InChi: 1S/C33H54O11S/c1-16-8-11-33(40-15-16)17(2)26-24(43-33)14-23-21-7-6-19-12-20(34)13-25(32(19,5)22(21)9-10-31(23,26)4)42-30-28(36)27(35)29(18(3)41-30)44-45(37,38)39/h16-30,34-36H,6-15H2,1-5H3,(H,37,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1
  • InChiKey: VEBWDEUHONOFKN-GOVPCOKMSA-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
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1624 0.1624
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0036 0.0296 0.0414
Plasmodium falciparum calcium-dependent protein kinase 1 0.0036 0.0296 0.0414
Leishmania major lysyl-tRNA synthetase, putative 0.0026 0.0144 0.2869
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0501 0.335
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0287 0.0287
Echinococcus multilocularis cyclin dependent kinase 5 0.0049 0.0501 0.0501
Schistosoma mansoni protein kinase 0.0036 0.0296 0.0296
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0054 0.0054
Mycobacterium ulcerans hypothetical protein 0.0035 0.0287 1
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.0501 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0049 0.0501 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1624 0.1624
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0034 0.0686
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0054 0.0054
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0501 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0222 0.0222
Onchocerca volvulus 0.0035 0.0287 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0287 0.091
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0026 0.0144 0.2869
Schistosoma mansoni lysyl-tRNA synthetase 0.0026 0.0144 0.0144
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0054 0.0054
Brugia malayi ecdysteroid receptor 0.002 0.0054 0.0364
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0501 0.335
Loa Loa (eye worm) hypothetical protein 0.0066 0.0764 0.5105
Trichomonas vaginalis conserved hypothetical protein 0.0115 0.1496 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0186 0.2576 0.3602
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0054 0.0364
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0054 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.1231 0.8225
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0287 0.0287
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0278 0.0278
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0034 0.0034
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0278 0.0278
Plasmodium falciparum mitogen-activated protein kinase 2 0.0186 0.2576 0.3602
Schistosoma mansoni microtubule-associated protein tau 0.0674 1 1
Echinococcus granulosus cyclin dependent kinase 5 0.0049 0.0501 0.0501
Plasmodium falciparum protein kinase 5 0.0049 0.0501 0.0701
Echinococcus granulosus cyclin dependent kinase 0.0049 0.0501 0.0501
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0034 0.0048
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0501 0.335
Echinococcus multilocularis thyroid hormone receptor alpha 0.0143 0.1923 0.1923
Trichomonas vaginalis glucose transporter, putative 0.0036 0.0295 0.1973
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0054 0.1899
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0034 0.023
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.1918
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0115 0.1496 0.1496
Schistosoma mansoni lysyl-tRNA synthetase 0.0026 0.0144 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0054 0.0364
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0054 0.0054
Plasmodium falciparum hexose transporter 0.0115 0.1496 0.2092
Schistosoma mansoni hypothetical protein 0.0031 0.0222 0.0222
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0036 0.0296 0.0633
Entamoeba histolytica hypothetical protein 0.0026 0.0144 0.2344
Mycobacterium leprae Probable lipase LipE 0.0035 0.0287 1
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.0501 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0034 0.0686
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0036 0.0296 0.1978
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0296 0.0296
Trichomonas vaginalis sugar transporter, putative 0.0036 0.0295 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0295 0.1973
Trichomonas vaginalis glucose transporter, putative 0.0036 0.0295 0.1973
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.004 0.0364 0.0778
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0501 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0054 0.0364
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0054 0.1899
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0287 0.091
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0054 0.0054
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.3153 1
Echinococcus multilocularis cyclin dependent kinase 0.0049 0.0501 0.0501
Entamoeba histolytica protein kinase, putative 0.0036 0.0296 0.5603
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0054 0.0364
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0034 0.0109
Plasmodium vivax hexose transporter 0.0115 0.1496 0.2092
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0054 0.0364
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0054 0.0054
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Toxoplasma gondii exonuclease III APE 0.0018 0.0034 0.0073
Trypanosoma brucei cdc2-related kinase 1 0.0049 0.0501 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0287 1
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Trypanosoma brucei THT1 - hexose transporter, putative 0.0036 0.0295 0.5889
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0054 0.0364
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0287 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0026 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0031 0.0222 0.1484
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0287 0.1918
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0287 0.5725
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0034 0.0686
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0054 0.0054
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0295 0.5889
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0287 0.0287
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0364 0.7264
Toxoplasma gondii lysine-tRNA ligase 0.0026 0.0144 0.0307
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0764 0.5105
Brugia malayi Sugar transporter family protein 0.0115 0.1496 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0287 0.091
Plasmodium vivax protein kinase Crk2 0.0049 0.0501 0.0701
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0054 0.0364
Echinococcus granulosus cyclin dependent kinase 1 0.0049 0.0501 0.0501
Loa Loa (eye worm) beta-lactamase 0.0035 0.0287 0.1918
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.0501 0.0501
Brugia malayi lysyl-tRNA synthetase 0.0026 0.0144 0.0961
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0054 0.0054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0222 0.1484
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Plasmodium falciparum calcium-dependent protein kinase 5 0.0036 0.0296 0.0414
Leishmania major hypothetical protein, conserved 0.0035 0.0287 0.5725
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0054 0.0364
Trypanosoma brucei cdc2-related kinase 3 0.0049 0.0501 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0054 0.0054
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0054 0.0054
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0054 0.0364
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0036 0.0296 0.1978
Echinococcus granulosus FTZ F1 alpha 0.002 0.0054 0.0054
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0034 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0054 0.0364
Plasmodium falciparum calcium-dependent protein kinase 4 0.0036 0.0296 0.0414
Schistosoma mansoni nuclear hormone receptor 0.002 0.0054 0.0054
Echinococcus granulosus General substrate transporter 0.0098 0.1252 0.1252
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0222 0.0222
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0034 0.0686
Onchocerca volvulus 0.002 0.0054 0.1899
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Schistosoma mansoni hypothetical protein 0.0066 0.0764 0.0764
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0278 0.1855
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.1918
Brugia malayi nuclear receptor NHR-88 0.002 0.0054 0.0364
Plasmodium falciparum lysine--tRNA ligase 0.0026 0.0144 0.0201
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.0501 0.0501
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.0501 1
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0278 0.5537
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Trichomonas vaginalis sugar transporter, putative 0.0036 0.0295 0.1973
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.1918
Mycobacterium tuberculosis Conserved protein 0.0035 0.0287 0.091
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0287 0.091
Chlamydia trachomatis lysine--tRNA ligase 0.0026 0.0144 0.5
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0278 0.1855
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0026 0.0144 0.0961
Mycobacterium ulcerans lipase LipD 0.0035 0.0287 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.004 0.0364 0.7264
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0054 0.0054
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0049 0.0501 0.335
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0034 0.1198
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0034 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0287 0.091
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0054 0.0054
Brugia malayi Protein kinase domain containing protein 0.0049 0.0501 0.335
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0287 0.1918
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0222 0.0222
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0278 0.5209
Trichomonas vaginalis CAMK family protein kinase 0.0036 0.0296 0.1978
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0054 0.0364
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0034 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0036 0.0296 0.0633
Leishmania major glucose transporter, lmgt1 0.0036 0.0295 0.5889
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0295 0.5889
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0054 0.0364
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0054 0.0364
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0054 0.0054
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0036 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0028 0.018 0.12
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0036 0.0296 0.0414
Trypanosoma brucei THT1 - hexose transporter, putative 0.0036 0.0295 0.5889
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.1918
Schistosoma mansoni coup transcription factor 0.002 0.0054 0.0054
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Mycobacterium tuberculosis Conserved protein 0.0035 0.0287 0.091
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0054 0.0054
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0501 1
Trypanosoma cruzi hexose transporter, putative 0.0019 0.005 0.1005
Plasmodium falciparum protein kinase 6 0.0487 0.7153 1
Plasmodium falciparum proline--tRNA ligase 0.004 0.0364 0.0509
Loa Loa (eye worm) hypothetical protein 0.0097 0.1231 0.8225
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0054 0.1899
Trypanosoma brucei THT1 - hexose transporter, putative 0.0036 0.0295 0.5889
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0287 0.1918
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0287 0.1918
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0287 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0034 0.023
Toxoplasma gondii facilitative glucose transporter GT1 0.0115 0.1496 0.3196
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0287 0.091
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0186 0.2576 0.5502
Toxoplasma gondii protein kinase, putative 0.0324 0.4682 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0054 0.0364
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0501 0.335
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0036 0.0296 0.1978
Trichomonas vaginalis esterase, putative 0.0035 0.0287 0.1918
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0054 0.0364
Leishmania major glucose transporter/membrane transporter D2, putative 0.0036 0.0295 0.5889
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0278 0.1855
Loa Loa (eye worm) sugar transporter 0.0115 0.1496 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0054 0.0364
Schistosoma mansoni hypothetical protein 0.0031 0.0222 0.0222
Leishmania major glucose transporter, lmgt3 0.0036 0.0295 0.5889
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0287 0.1918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0054 0.0364
Leishmania major glucose transporter, lmgt2 0.0036 0.0295 0.5889
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0278 0.9533
Schistosoma mansoni protein kinase 0.0036 0.0296 0.0296
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0054 0.0054
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0054 0.0054
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0287 0.1918
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0222 0.1484
Brugia malayi beta-lactamase family protein 0.0035 0.0287 0.1918
Echinococcus multilocularis General substrate transporter 0.0098 0.1252 0.1252
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0501 0.0501
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0054 0.0364
Plasmodium falciparum calcium-dependent protein kinase 3 0.0036 0.0296 0.0414
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1231 0.8225
Brugia malayi Cam kinase protein 1 0.0036 0.0296 0.1978
Entamoeba histolytica protein kinase, putative 0.0036 0.0296 0.5603
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0034 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0054 0.0364
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0034 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0054 0.0364
Schistosoma mansoni hypothetical protein 0.0031 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0046 0.046 0.3076
Brugia malayi steroid hormone receptor 0.002 0.0054 0.0364
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0115 0.1496 0.1496
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0287 0.1918
Schistosoma mansoni ap endonuclease 0.0018 0.0034 0.0034
Plasmodium vivax CDK-related protein kinase 6, putative 0.0487 0.7153 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1231 0.8225
Brugia malayi cell division control protein 2 homolog 0.0049 0.0501 0.335
Plasmodium vivax proline--tRNA ligase, putative 0.004 0.0364 0.0509
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0222 0.0222
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0036 0.0296 0.5905
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0501 0.335
Mycobacterium tuberculosis Conserved protein 0.0035 0.0287 0.091
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0026 0.0144 0.5012
Brugia malayi beta-lactamase family protein 0.0035 0.0287 0.1918
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0034 0.0686
Schistosoma mansoni hypothetical protein 0.0123 0.1624 0.1624
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0034 0.023
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0054 0.0364
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0364 0.7264
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0049 0.0501 0.107
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0022 0.0085 0.027
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.1918
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0364 0.7264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0054 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0054 0.0364
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0036 0.0296 0.0633
Echinococcus granulosus lysyl tRNA synthetase 0.0026 0.0144 0.0144
Plasmodium falciparum protein kinase 7 0.0324 0.4682 0.6546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0054 0.0364
Mycobacterium ulcerans beta-lactamase 0.0035 0.0287 1
Brugia malayi beta-lactamase 0.0035 0.0287 0.1918
Loa Loa (eye worm) hypothetical protein 0.0034 0.0278 0.1855
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0026 0.0144 0.2904
Schistosoma mansoni hypothetical protein 0.0031 0.0222 0.0222
Plasmodium falciparum calcium-dependent protein kinase 2 0.0036 0.0296 0.0414
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0295 0.5889
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0022 0.0085 0.027
Loa Loa (eye worm) hypothetical protein 0.002 0.0054 0.0364
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0054 0.0054
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0096 0.0641
Echinococcus granulosus calcium dependent protein kinase 0.0033 0.0255 0.0255
Schistosoma mansoni thyroid hormone receptor 0.0143 0.1923 0.1923
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0278 0.0278
Schistosoma mansoni hypothetical protein 0.0115 0.1496 0.1496
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.0501 1
Echinococcus multilocularis calcium dependent protein kinase 0.0033 0.0255 0.0255
Schistosoma mansoni glucose transport protein 0.0115 0.1496 0.1496
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0222 0.0222
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0287 0.0287
Echinococcus multilocularis microtubule associated protein 2 0.0674 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0054 0.0054
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0026 0.0144 0.2869
Giardia lamblia Lysyl-tRNA synthetase 0.0026 0.0144 0.2869
Schistosoma mansoni thyroid hormone receptor 0.0143 0.1923 0.1923
Loa Loa (eye worm) hypothetical protein 0.0026 0.0144 0.0961
Loa Loa (eye worm) hypothetical protein 0.0034 0.0278 0.1855
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.1918
Trypanosoma brucei glucose transporter, putative 0.0036 0.0295 0.5889
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0049 0.0501 1
Schistosoma mansoni protein kinase 0.0036 0.0296 0.0296
Trypanosoma brucei glucose transporter 1E 0.0036 0.0295 0.5889
Brugia malayi nuclear hormone receptor 0.002 0.0054 0.0364
Leishmania major protein kinase, putative 0.0036 0.0296 0.5905
Schistosoma mansoni ap endonuclease 0.0018 0.0034 0.0034
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0278 0.0278
Trichomonas vaginalis sugar transporter, putative 0.0036 0.0295 0.1973
Plasmodium vivax lysine--tRNA ligase, putative 0.0026 0.0144 0.0201
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0501 0.0501
Plasmodium vivax calcium-dependent protein kinase, putative 0.0036 0.0296 0.0414
Toxoplasma gondii ABC1 family protein 0.0035 0.0287 0.0613
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0287 0.5725
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0054 0.0054
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0049 0.0501 0.0501
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0287 0.5725
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0054 0.0054
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0501 1
Schistosoma mansoni glucose transport protein 0.0115 0.1496 0.1496
Trypanosoma cruzi hexose transporter 0.0036 0.0295 0.5889
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0222 0.1484
Schistosoma mansoni glucose transport protein 0.0115 0.1496 0.1496
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0054 0.0054
Onchocerca volvulus 0.0035 0.0287 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0036 0.0296 0.0414
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.004 0.0364 0.7264
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0287 0.0401
Onchocerca volvulus 0.0035 0.0287 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0026 0.0144 0.5012
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0054 0.0054
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0287 0.091
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0054 0.0364
Trypanosoma brucei glucose transporter 2A 0.0036 0.0295 0.5889
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0295 0.1973
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0036 0.0296 0.0296
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0036 0.0296 0.1978
Echinococcus granulosus GPCR family 2 0.0031 0.0222 0.0222

Activities

Activity type Activity value Assay description Source Reference
IC12 (functional) = 3.5 ug DNA damaging activity against DNA repair-deficient Saccharomyces cerevisiae W303-1A RS188N mutant assessed as drug concentration required to produce 12 mm zone of inhibition by agar diffusion assay ChEMBL. 8254345

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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