Detailed information for compound 1420806

Basic information

Technical information
  • TDR Targets ID: 1420806
  • Name: MLS000056309
  • MW: 465.566 | Formula: C19H19N3O5S3
  • H donors: 1 H acceptors: 3 LogP: 3.94 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1sc(c(c1CSc1nc2sc3c(c2c(=O)n1C)CCC3)C(=O)OC)N
  • InChi: 1S/C19H19N3O5S3/c1-22-16(23)12-8-5-4-6-10(8)29-15(12)21-19(22)28-7-9-11(17(24)26-2)14(20)30-13(9)18(25)27-3/h4-7,20H2,1-3H3
  • InChiKey: QCLFLLUSYLRALL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000068563
  • T5344210
  • ZINC03443739

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
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 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.019 0.0357 0.0357
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0179 0.0334 0.0334
Echinococcus granulosus microtubule associated protein 2 0.0833 0.174 0.174
Brugia malayi nuclear hormone receptor family member nhr-6 0.019 0.0357 0.0357
Schistosoma mansoni thyroid hormone receptor 0.0403 0.0814 0.0853
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0114 0.0194 0.0194
Loa Loa (eye worm) latrophilin receptor protein 2 0.0114 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0338 0.0674 0.0674
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0088
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Brugia malayi orphan nuclear receptor NR2E1 0.019 0.0357 0.0357
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0045 0.0045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.019 0.0357 0.0357
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0077 0.0081
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0403 0.0814 0.0853
Loa Loa (eye worm) RNA binding protein 0.0063 0.0084 0.0084
Echinococcus multilocularis FTZ F1 alpha 0.0403 0.0814 0.0814
Onchocerca volvulus 0.019 0.0357 0.4385
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0298 0.059 0.059
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Schistosoma mansoni nuclear hormone receptor 0.019 0.0357 0.0374
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0221 0.0424 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.019 0.0357 0.0357
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0403 0.0814 0.0814
Brugia malayi hypothetical protein 0.019 0.0357 0.0357
Loa Loa (eye worm) pip kinase 2 0.0179 0.0334 0.0334
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0403 0.0814 0.0853
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0403 0.0814 0.0853
Trichomonas vaginalis CAMK family protein kinase 0.0148 0.0266 0.4061
Schistosoma mansoni hypothetical protein 0.0058 0.0074 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0114 0.0194 0.0194
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0179 0.0334 0.035
Schistosoma mansoni kinase 0.0152 0.0275 0.0288
Brugia malayi N-terminal motif family protein 0.0186 0.0348 0.0348
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.019 0.0357 0.0357
Loa Loa (eye worm) steroid hormone receptor 0.0403 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0403 0.0814 0.0814
Brugia malayi nuclear hormone receptor 0.019 0.0357 0.0357
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.4677 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0338 0.0674 1
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0298 0.059 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0213 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0179 0.0334 0.0334
Schistosoma mansoni hypothetical protein 0.0114 0.0194 0.0203
Loa Loa (eye worm) hypothetical protein 0.0213 0.0406 0.0406
Onchocerca volvulus 0.0179 0.0334 0.4104
Schistosoma mansoni zinc finger protein 0.019 0.0357 0.0374
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0298 0.059 1
Brugia malayi Nuclear hormone receptor E75 0.019 0.0357 0.0357
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.0562 0.0562
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.4677 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0221 0.0424 0.4744
Onchocerca volvulus Bile acid receptor homolog 0.0403 0.0814 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0213 0.0406 0.0406
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0403 0.0814 0.0814
Echinococcus multilocularis tumor protein p63 0.0408 0.0826 0.0826
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0045 0.0045
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0298 0.059 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0403 0.0814 0.0814
Echinococcus multilocularis peptidase Clp (S14 family) 0.0221 0.0424 0.0424
Schistosoma mansoni serine/threonine protein kinase 0.0298 0.059 0.0618
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0338 0.0674 1
Schistosoma mansoni coup transcription factor 0.0403 0.0814 0.0853
Echinococcus granulosus peptidase Clp S14 family 0.0221 0.0424 0.0424
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Brugia malayi Steroid receptor seven-up type 2 0.0403 0.0814 0.0814
Brugia malayi nuclear receptor NHR-88 0.019 0.0357 0.0357
Brugia malayi Nuclear hormone receptor-like 1 0.0213 0.0406 0.0406
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0088
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0045 0.0045
Schistosoma mansoni nuclear hormone receptor 0.019 0.0357 0.0374
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.019 0.0357 0.0357
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.019 0.0357 0.0357
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0114 0.0194 0.0194
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.4464 0.9543 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0403 0.0814 0.0814
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.019 0.0357 0.4385
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0221 0.0424 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0403 0.0814 0.0814
Echinococcus multilocularis nuclear receptor nhr 48 0.019 0.0357 0.0357
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0403 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.0213 0.0406 0.0406
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0403 0.0814 0.0814
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0403 0.0814 0.0814
Echinococcus multilocularis Nuclear hormone receptor HR96 0.019 0.0357 0.0357
Brugia malayi nuclear hormone receptor family member odr-7 0.019 0.0357 0.0357
Onchocerca volvulus 0.019 0.0357 0.4385
Onchocerca volvulus 0.0403 0.0814 1
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0403 0.0814 0.0814
Brugia malayi hypothetical protein 0.0213 0.0406 0.0406
Brugia malayi Calcitonin receptor-like protein seb-1 0.036 0.0722 0.0722
Echinococcus multilocularis ecdysone induced protein 78C 0.0403 0.0814 0.0814
Trypanosoma brucei polo-like protein kinase 0.0298 0.059 1
Brugia malayi hypothetical protein 0.0286 0.0562 0.0562
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Schistosoma mansoni hypothetical protein 0.0205 0.0389 0.0407
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0045 0.0045
Echinococcus granulosus Nuclear hormone receptor HR96 0.019 0.0357 0.0357
Echinococcus granulosus FTZ F1 alpha 0.0403 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.0213 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0246 0.0478 0.0478
Loa Loa (eye worm) DR-78 0.019 0.0357 0.0357
Echinococcus multilocularis thyroid hormone receptor alpha 0.0403 0.0814 0.0814
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0403 0.0814 0.0814
Onchocerca volvulus 0.0058 0.0074 0.0909
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0403 0.0814 0.0814
Schistosoma mansoni survival motor neuron protein 0.0058 0.0074 0.0078
Brugia malayi Latrophilin receptor protein 2 0.0114 0.0194 0.0194
Echinococcus multilocularis GPCR, family 2 0.0114 0.0194 0.0194
Schistosoma mansoni peptidase Clp (S14 family) 0.0338 0.0674 0.0707
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0213 0.0406 0.0425
Onchocerca volvulus Serine\/threonine kinase homolog 0.0298 0.059 0.7247
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0298 0.059 0.059
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0148 0.0266 0.4061
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0116 0.0199 0.2948
Brugia malayi hypothetical protein 0.019 0.0357 0.0357
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0088
Loa Loa (eye worm) nuclear receptor nhr-7B 0.019 0.0357 0.0357
Schistosoma mansoni retinoic acid receptor RXR 0.0403 0.0814 0.0853
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0045 0.0045 0.0045
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0084 0.0084
Schistosoma mansoni hypothetical protein 0.0114 0.0194 0.0203
Brugia malayi latrophilin 2 splice variant baaae 0.0246 0.0478 0.0478
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0562 0.0562
Schistosoma mansoni thyroid hormone receptor 0.0403 0.0814 0.0853
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0403 0.0814 0.0814
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0403 0.0814 0.0814
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0403 0.0814 0.0814
Brugia malayi nuclear receptor RXR 0.0213 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.036 0.0722 0.0722
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0092 0.0092
Brugia malayi nuclear receptor NHR-67 0.019 0.0357 0.0357
Echinococcus granulosus thyroid hormone receptor alpha 0.019 0.0357 0.0357
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0403 0.0814 0.0814
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0403 0.0814 0.0853
Echinococcus granulosus nuclear receptor nhr 48 0.019 0.0357 0.0357
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0213 0.0406 0.0425
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.036 0.0722 0.0722
Loa Loa (eye worm) pigment dispersing factor receptor c 0.036 0.0722 0.0722
Brugia malayi steroid hormone receptor 0.0403 0.0814 0.0814
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0403 0.0814 0.0853
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0403 0.0814 0.0814
Brugia malayi Probable ClpP-like protease 0.0338 0.0674 0.0674
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0403 0.0814 0.0814
Onchocerca volvulus 0.006 0.0077 0.0948
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0116 0.0199 0.2948
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0403 0.0814 0.0814
Echinococcus granulosus GPCR family 2 0.0114 0.0194 0.0194
Schistosoma mansoni steroid hormone receptor ad4bp 0.0403 0.0814 0.0853
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.0348 0.4273
Giardia lamblia Kinase, PLK 0.0298 0.059 1
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Echinococcus multilocularis Nuclear hormone receptor HR96 0.019 0.0357 0.0357
Schistosoma mansoni nuclear receptor 0.019 0.0357 0.0374
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 1
Echinococcus granulosus geminin 0.0205 0.0389 0.0389
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0084 0.0084
Brugia malayi ecdysteroid receptor 0.0403 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Brugia malayi RNA binding protein 0.0063 0.0084 0.0084
Brugia malayi ecdysone receptor 0.019 0.0357 0.0357
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0403 0.0814 0.0814
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.4677 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0562 0.0562
Schistosoma mansoni lipoxygenase 0.0067 0.0092 0.0097
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0045 0.0047
Brugia malayi nuclear receptor NHR-88 0.0403 0.0814 0.0814
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0213 0.0406 0.0406
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0114 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0114 0.0194 0.0194
Echinococcus granulosus Nuclear hormone receptor HR96 0.019 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Brugia malayi Nuclear hormone receptor-like 1 0.0403 0.0814 0.0814
Echinococcus multilocularis geminin 0.0205 0.0389 0.0389
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0088
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.019 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0213 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0186 0.0348 0.0348
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0338 0.0674 1
Schistosoma mansoni nuclear hormone receptor 0.0403 0.0814 0.0853
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0045 0.0047
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0338 0.0674 0.5
Brugia malayi nuclear hormone receptor 0.0403 0.0814 0.0814
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.019 0.0357 0.0357
Schistosoma mansoni hypothetical protein 0.0114 0.0194 0.0203
Brugia malayi hypothetical protein 0.0213 0.0406 0.0406
Brugia malayi conserved hypotetical protein 0.019 0.0357 0.0357
Trypanosoma cruzi polo-like protein kinase, putative 0.0298 0.059 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0403 0.0814 0.0814
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0045 0.0045
Brugia malayi serine/threonine-protein kinase plk-2 0.0298 0.059 0.059
Brugia malayi tailless protein 0.019 0.0357 0.0357
Schistosoma mansoni hypothetical protein 0.0114 0.0194 0.0203
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0045 0.0045
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0403 0.0814 0.0814
Schistosoma mansoni hypothetical protein 0.0205 0.0389 0.0407
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.019 0.0357 0.0374
Echinococcus granulosus tumor protein p63 0.0408 0.0826 0.0826
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Onchocerca volvulus Protein ultraspiracle homolog 0.0403 0.0814 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0403 0.0814 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0403 0.0814 0.0814
Brugia malayi Nuclear hormone receptor E75 0.019 0.0357 0.0357
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0403 0.0814 0.0814
Brugia malayi photoreceptor-specific nuclear receptor 0.0403 0.0814 0.0814
Schistosoma mansoni nuclear receptor 0.019 0.0357 0.0374
Loa Loa (eye worm) hypothetical protein 0.0114 0.0194 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0403 0.0814 0.0814
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0298 0.059 0.059
Loa Loa (eye worm) hypothetical protein 0.019 0.0357 0.0357
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0403 0.0814 0.0853
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0084 0.0084
Schistosoma mansoni nuclear receptor nhr-48 0.019 0.0357 0.0374
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0338 0.0674 0.0674
Brugia malayi nuclear receptor RXR 0.019 0.0357 0.0357
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0403 0.0814 0.0814
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0088
Echinococcus granulosus tar DNA binding protein 0.0063 0.0084 0.0084
Schistosoma mansoni RAR-like nuclear receptor 0.0403 0.0814 0.0853
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0403 0.0814 0.0814
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0338 0.0674 0.0674
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.174 0.1823
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0403 0.0814 0.0814
Brugia malayi Pip kinase protein 2 0.0179 0.0334 0.0334
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0403 0.0814 0.0814
Trichomonas vaginalis CAMK family protein kinase 0.0298 0.059 1
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0179 0.0334 0.0334
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0213 0.0406 0.0406
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0045 0.0045
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.174 0.174
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.019 0.0357 0.4385
Loa Loa (eye worm) hypothetical protein 0.006 0.0077 0.0077
Brugia malayi TAR-binding protein 0.0063 0.0084 0.0084
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0338 0.0674 1
Brugia malayi Nuclear hormone receptor-like 1 0.0213 0.0406 0.0406
Echinococcus granulosus ecdysone induced protein 78C 0.0403 0.0814 0.0814
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0179 0.0334 0.035
Schistosoma mansoni hypothetical protein 0.0246 0.0478 0.0501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0403 0.0814 0.0814

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 260 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (functional) 1.6511 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) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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