Detailed information for compound 1546855

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.903 | Formula: C18H22ClN3O4S
  • H donors: 1 H acceptors: 3 LogP: 1.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)NCc1ccco1)Cl
  • InChi: 1S/C18H22ClN3O4S/c1-2-21-7-9-22(10-8-21)27(24,25)15-5-6-17(19)16(12-15)18(23)20-13-14-4-3-11-26-14/h3-6,11-12H,2,7-10,13H2,1H3,(H,20,23)
  • InChiKey: ZOWVQZCJLNLZSF-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
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Echinococcus granulosus chromobox protein 1 0.0073 0.1454 0.3172
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0004 0.0007
Trichomonas vaginalis set domain proteins, putative 0.0249 0.564 0.8026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0887 0.135
Loa Loa (eye worm) hypothetical protein 0.0045 0.0779 0.1192
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0004 0.0007
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0014 0.0047 0.0093
Plasmodium falciparum mitogen-activated protein kinase 2 0.0165 0.363 0.3595
Plasmodium falciparum phd finger protein, putative 0.0031 0.0442 0.0389
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0004 0.0007
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0004 0.0007
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0255 0.0384
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0456 0.0698
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0562 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1027 0.2236
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.069 0.0912
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.1454 0.2223
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0165 0.363 0.5495
Echinococcus granulosus solute carrier family 22 0.0014 0.0055 0.0111
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0643 0.0978
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0746 0.1134
Loa Loa (eye worm) hypothetical protein 0.0041 0.069 0.1054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.2138 0.4667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0004 0.0007
Brugia malayi chromobox protein homolog 3 0.0041 0.069 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0004 0.0007
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.014 0.0208
Entamoeba histolytica protein kinase, putative 0.0031 0.0456 0.0298
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0255 0.0201
Schistosoma mansoni sugar transporter 0.0014 0.0055 0.0078
Brugia malayi jmjC domain containing protein 0.0039 0.0643 0.0983
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0562 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0055 0.5
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0055 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0004 0.0007
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0457 0.0404
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0255 0.395
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0055 0.0084
Trichomonas vaginalis glutaminase, putative 0.0287 0.6541 0.9321
Onchocerca volvulus 0.0014 0.0055 0.009
Onchocerca volvulus 0.0014 0.0055 0.009
Brugia malayi major facilitator superfamily protein 0.0014 0.0055 0.0084
Onchocerca volvulus 0.0249 0.564 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Schistosoma mansoni hypothetical protein 0.0102 0.2138 0.3264
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0562 1
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1454 0.2011
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0728 0.1582
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0189 0.0192
Loa Loa (eye worm) hypothetical protein 0.0031 0.0456 0.0698
Toxoplasma gondii protein kinase, putative 0.0288 0.6561 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0466 0.8107
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0255 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0456 0.0692
Echinococcus multilocularis chromobox protein 1 0.0073 0.1454 0.3172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1027 0.157
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0055 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0466 0.059
Leishmania major protein kinase, putative 0.0031 0.0456 0.7919
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0461 0.0999
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0255 0.0549
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0255 0.0309
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0562 0.0779
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1454 0.2011
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.1218 0.1862
Plasmodium falciparum protein kinase 7 0.0288 0.6561 0.6542
Brugia malayi hypothetical protein 0.0014 0.0055 0.0084
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0456 0.0698
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0457 0.0617
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0307 0.7013 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.2099 0.4582
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Schistosoma mansoni hypothetical protein 0.0016 0.0096 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0004 0.0007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.2138 0.3201
Brugia malayi Heterochromatin protein 1 0.0073 0.1454 0.2223
Onchocerca volvulus Putative transporter 0.0014 0.0055 0.009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Loa Loa (eye worm) glutaminase 2 0.0287 0.6541 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Plasmodium vivax hexose transporter 0.0102 0.2138 0.2094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0461 0.0699
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.014 0.0208
Trypanosoma cruzi ISWI complex protein 0.0016 0.0096 0.0815
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0442 0.0676
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0466 0.8107
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.015 0.328 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0004 0.0007
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0277 0.0418
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0055 0.0111
Echinococcus multilocularis zinc finger protein 0.0021 0.0203 0.0435
Schistosoma mansoni chromobox protein 0.0073 0.1454 0.2218
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0643 0.0983
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0255 0.0201
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0441 0.0956
Schistosoma mansoni glutaminase 0.0287 0.6541 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1027 0.157
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0887 0.1931
Echinococcus multilocularis solute carrier family 22 0.0014 0.0055 0.0111
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.069 0.1216
Schistosoma mansoni sugar transporter 0.0014 0.0055 0.0078
Plasmodium vivax SET domain protein, putative 0.0031 0.0461 0.0408
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0466 0.059
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0466 0.059
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0277 0.0597
Brugia malayi Cam kinase protein 1 0.0031 0.0456 0.0698
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0457 0.0404
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0442 0.0595
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.069 0.0912
Schistosoma mansoni zinc finger protein 0.0016 0.0096 0.0141
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.014 0.0297
Echinococcus granulosus chromobox protein 1 0.0073 0.1454 0.3172
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Loa Loa (eye worm) CHromoDomain protein family member 0.0014 0.0047 0.0072
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0466 0.059
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0156 0.0238
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.2138 0.2993
Entamoeba histolytica protein kinase, putative 0.0031 0.0456 0.0298
Trypanosoma brucei glucose transporter 1E 0.0032 0.0466 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Echinococcus granulosus solute carrier family 22 0.0014 0.0055 0.0111
Echinococcus granulosus zinc finger protein 0.0021 0.0203 0.0435
Brugia malayi Bromodomain containing protein 0.004 0.0671 0.1025
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0411 0.0889
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Echinococcus granulosus peregrin 0.0033 0.0502 0.1088
Onchocerca volvulus 0.0032 0.0479 0.0842
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0728 0.1582
Giardia lamblia PHD finger protein 15 0.0031 0.0442 0.0557
Onchocerca volvulus 0.0014 0.0055 0.009
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0643 0.0978
Trypanosoma brucei glucose transporter 2A 0.0032 0.0466 0.8107
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0612 0.1329
Loa Loa (eye worm) sugar transporter 0.0102 0.2138 0.3268
Brugia malayi nuclear hormone receptor 0.0012 0.0004 0.0007
Brugia malayi Pre-SET motif family protein 0.0219 0.492 0.7522
Brugia malayi PHD-finger family protein 0.0031 0.0442 0.0676
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0596 0.1293
Onchocerca volvulus 0.0014 0.0055 0.009
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.2099 0.4582
Schistosoma mansoni protein kinase 0.0031 0.0456 0.0692
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0457 0.0404
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0456 0.0577
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0125 0.1383
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0466 0.8107
Loa Loa (eye worm) hypothetical protein 0.0032 0.0479 0.0732
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0277 0.0597
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1027 0.2236
Schistosoma mansoni zinc finger protein 0.0021 0.0203 0.0304
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0466 0.8107
Schistosoma mansoni glucose transporter 0.0014 0.0055 0.0078
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Plasmodium falciparum hexose transporter 0.0102 0.2138 0.2094
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0174 0.0368
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.014 0.0297
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0441 0.0555
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0255 0.395
Brugia malayi jmjC domain containing protein 0.01 0.2099 0.3209
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0055 0.0084
Schistosoma mansoni sugar transporter 0.0014 0.0055 0.0078
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Echinococcus multilocularis solute carrier family 22 0.0014 0.0055 0.0111
Trypanosoma brucei ISWI complex protein 0.0016 0.0096 0.0815
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0405 0.0503
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.015 0.328 1
Onchocerca volvulus 0.0014 0.0055 0.009
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0004 0.0007
Leishmania major glucose transporter, lmgt2 0.0032 0.0466 0.8107
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0055 0.0078
Echinococcus multilocularis peregrin 0.0033 0.0502 0.1088
Onchocerca volvulus 0.0014 0.0055 0.009
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0562 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.148 0.2263
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0441 0.0675
Echinococcus multilocularis chromobox protein 1 0.0073 0.1454 0.3172
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Schistosoma mansoni hypothetical protein 0.0022 0.023 0.0345
Schistosoma mansoni glucose transport protein 0.0102 0.2138 0.3264
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0562 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0457 0.0404
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0441 0.0675
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0014 0.0047 0.0093
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0255 0.039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0004 0.0007
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0457 0.0404
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Onchocerca volvulus Alhambra homolog 0.0031 0.0442 0.0777
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0004 0.0007
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0764 0.1018
Leishmania major hypothetical protein, conserved 0.0016 0.0096 0.0815
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.015 0.328 0.4972
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0047 0.0065
Brugia malayi steroid hormone receptor 0.0012 0.0004 0.0007
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0466 0.8107
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0562 0.051
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Schistosoma mansoni glucose transport protein 0.0102 0.2138 0.3264
Brugia malayi Bromodomain containing protein 0.0079 0.1587 0.2427
Onchocerca volvulus 0.0014 0.0055 0.009
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Schistosoma mansoni glucose transport protein 0.0102 0.2138 0.3264
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0004 0.0007
Brugia malayi Sugar transporter family protein 0.0014 0.0055 0.0084
Brugia malayi glutaminase DH11.1 0.0287 0.6541 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0004 0.0007
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0466 0.059
Schistosoma mansoni sugar transporter 0.0014 0.0055 0.0078
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0055 0.0084
Brugia malayi hypothetical protein 0.0014 0.0055 0.0084
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0405 0.0503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1027 0.2236
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0174 0.0368
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.1205 0.2627
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0055 0.0084
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Loa Loa (eye worm) hypothetical protein 0.0053 0.0963 0.1472
Brugia malayi Sugar transporter family protein 0.0102 0.2138 0.3268
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0457 0.0404
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0055 0.0111
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0441 0.0956
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.1205 0.2627
Brugia malayi SET domain containing protein 0.0013 0.0027 0.0041
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.023 0.0351
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0442 0.067
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0004 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1027 0.1564
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0013 0.002
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0307 0.7013 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.1295 0.1974
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0165 0.363 0.3595
Onchocerca volvulus 0.0014 0.0055 0.009
Onchocerca volvulus 0.0043 0.0746 0.1316
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0457 0.0404
Brugia malayi major facilitator superfamily protein 0.0014 0.0055 0.0084
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0441 0.0555
Brugia malayi CHD4 protein 0.0014 0.0047 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0466 0.059
Echinococcus multilocularis geminin 0.0205 0.4576 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0442 0.0676
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Trypanosoma cruzi hexose transporter 0.0032 0.0466 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0466 0.059
Echinococcus granulosus solute carrier family 22 0.0014 0.0055 0.0111
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0461 0.0624
Brugia malayi Bromodomain containing protein 0.0033 0.0502 0.0767
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0004 0.0007
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0457 0.0617
Mycobacterium ulcerans glutaminase 0.0287 0.6541 1
Onchocerca volvulus 0.0014 0.0055 0.009
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0411 0.0889
Loa Loa (eye worm) hypothetical protein 0.0049 0.0887 0.1356
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0612 0.1329
Onchocerca volvulus 0.0014 0.0055 0.009
Brugia malayi PHD-finger family protein 0.0026 0.0336 0.0514
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0457 0.0617
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0466 0.8107
Schistosoma mansoni chromobox protein 0.0073 0.1454 0.2218
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0004 0.0007
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0442 0.0389
Leishmania major glucose transporter, lmgt3 0.0032 0.0466 0.8107
Schistosoma mansoni jumonji domain containing protein 0.008 0.1609 0.2455
Schistosoma mansoni protein kinase 0.0031 0.0456 0.0692
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0055 0.0111
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0442 0.0958
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Onchocerca volvulus 0.0014 0.0055 0.009
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2138 0.4667
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0466 0.8107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0004 0.0007
Onchocerca volvulus 0.0014 0.0055 0.009
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0442 0.0595
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0562 0.051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0004 0.0007
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0255 0.0309
Echinococcus granulosus geminin 0.0205 0.4576 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0457 0.0404
Echinococcus multilocularis solute carrier family 22 0.0014 0.0055 0.0111
Brugia malayi nuclear receptor NHR-88 0.0012 0.0004 0.0007
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0457 0.0404
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0764 0.1018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1027 0.1564
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0456 0.0989
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0456 0.0698
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0255 0.0384
Brugia malayi hypothetical protein 0.0014 0.0055 0.0084
Schistosoma mansoni hypothetical protein 0.0205 0.4576 0.6993
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Schistosoma mansoni protein kinase 0.0031 0.0456 0.0692
Loa Loa (eye worm) hypothetical protein 0.0043 0.0732 0.1119
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0441 0.0275
Onchocerca volvulus 0.0014 0.0055 0.009
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0643 0.1398
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0887 0.135
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0887 0.1931
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0764 0.1348
Echinococcus multilocularis solute carrier family 22 0.0014 0.0055 0.0111
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0004 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1027 0.2236
Echinococcus granulosus General substrate transporter 0.0088 0.1797 0.3922
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0255 0.0549
Schistosoma mansoni hypothetical protein 0.0031 0.0442 0.067
Onchocerca volvulus 0.0014 0.0055 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1027 0.1564
Onchocerca volvulus 0.0014 0.0055 0.009
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0255 0.395
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0084
Loa Loa (eye worm) hypothetical protein 0.0031 0.0441 0.0675
Loa Loa (eye worm) glutaminase 0.0287 0.6541 1
Loa Loa (eye worm) sugar transporter 0.0014 0.0055 0.0084
Brugia malayi Sugar transporter family protein 0.0014 0.0055 0.0084
Loa Loa (eye worm) hypothetical protein 0.0031 0.0441 0.0675
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0456 0.0989
Brugia malayi Pre-SET motif family protein 0.0031 0.0461 0.0705
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0255 0.0262
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0456 0.7919
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0004 0.0007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0007
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0027 0.0042
Trypanosoma brucei glucose transporter, putative 0.0032 0.0466 0.8107
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0004 0.0007
Loa Loa (eye worm) hypothetical protein 0.0025 0.0305 0.0466
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0307 0.7013 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0004 0.0007
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0255 0.0288
Trypanosoma cruzi ISWI complex protein 0.0016 0.0096 0.0815
Onchocerca volvulus 0.0014 0.0055 0.009
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0441 0.0669
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0255 0.0288
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0004 0.0007
Brugia malayi ecdysteroid receptor 0.0012 0.0004 0.0007
Giardia lamblia Fructose-bisphosphate aldolase 0.0307 0.7013 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0673 0.1028
Leishmania major glucose transporter, lmgt1 0.0032 0.0466 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0441 0.0669
Schistosoma mansoni hypothetical protein 0.0205 0.4576 0.6993
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0434 0.0939
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0442 0.0958
Plasmodium vivax CDK-related protein kinase 6, putative 0.0433 1 1
Echinococcus granulosus solute carrier family 22 0.0014 0.0055 0.0111
Loa Loa (eye worm) hypothetical protein 0.0023 0.0255 0.039
Treponema pallidum fructose-bisphosphate aldolase 0.0307 0.7013 0.5
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0255 0.0308
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0441 0.0862
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.492 0.7522
Echinococcus multilocularis General substrate transporter 0.0088 0.1797 0.3922

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 199.5262 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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