Detailed information for compound 1550040

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.93 | Formula: C19H24ClN3O4S
  • H donors: 0 H acceptors: 3 LogP: 1.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)N(Cc1ccco1)C)Cl
  • InChi: 1S/C19H24ClN3O4S/c1-3-22-8-10-23(11-9-22)28(25,26)16-6-7-18(20)17(13-16)19(24)21(2)14-15-5-4-12-27-15/h4-7,12-13H,3,8-11,14H2,1-2H3
  • InChiKey: GSTTXCADCBNHNB-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 ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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