Detailed information for compound 1651616

Basic information

Technical information
  • TDR Targets ID: 1651616
  • Name: 3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan- 4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane- 2,4-dione
  • MW: 300.347 | Formula: C15H24O6
  • H donors: 0 H acceptors: 2 LogP: 0.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)C([C@@H]1OC(O[C@@H]1[C@H]1COC(O1)(C)C)(C)C)C(=O)C
  • InChi: 1S/C15H24O6/c1-8(16)11(9(2)17)13-12(20-15(5,6)21-13)10-7-18-14(3,4)19-10/h10-13H,7H2,1-6H3/t10-,12-,13+/m1/s1
  • InChiKey: JDWNJTKXDUWOIJ-RTXFEEFZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC712581
  • NCI60_039357

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus biogenic amine 5HT receptor 0.0039 0.0123 0.0112
Brugia malayi Dopamine receptor protein 2 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0099 0.2032
Echinococcus multilocularis neuropeptide receptor 0.0039 0.0123 0.0112
Schistosoma mansoni neuropeptide F-like receptor 0.0039 0.0123 0.0112
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0039 0.0123 0.0112
Echinococcus granulosus fmrfamide receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0284 0.0273
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) transcription factor SMAD2 0.0606 0.4531 0.8068
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni smad1 5 8 and 0.0041 0.0143 0.0133
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Echinococcus multilocularis neuropeptides capa receptor 0.0039 0.0123 0.0112
Schistosoma mansoni microtubule-associated protein tau 0.131 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0137 0.0243
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0039 0.0123 0.0112
Brugia malayi RNA binding protein 0.0059 0.0284 0.0505
Toxoplasma gondii 1,3(4)-beta-glucanase 0.004 0.0137 0.0244
Schistosoma mansoni peptidase Clp (S14 family) 0.0075 0.0402 0.0392
Brugia malayi Tachykinin-like peptides receptor 99D 0.0039 0.0123 0.0219
Schistosoma mansoni biogenic amine (5HT) receptor 0.0039 0.0123 0.0112
Schistosoma mansoni amine GPCR 0.0039 0.0123 0.0112
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0143 0.0133
Echinococcus multilocularis sex peptide receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0039 0.0123 0.0112
Toxoplasma gondii hypothetical protein 0.004 0.0137 0.0244
Echinococcus multilocularis tumor protein p63 0.0731 0.5507 0.5502
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0048 0.0193 0.0325
Brugia malayi G protein-coupled receptor 0.0039 0.0123 0.0219
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.0123 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0284 0.0273
Echinococcus granulosus peptide allatostatin:somatostatin 0.0039 0.0123 0.0112
Echinococcus granulosus 7TM GPCR rhodopsin 0.0039 0.0123 0.0112
Brugia malayi RE15519p 0.0039 0.0123 0.0219
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Echinococcus granulosus neuropeptide Y receptor 0.0039 0.0123 0.0112
Brugia malayi Melatonin receptor type 1A 0.0039 0.0123 0.0219
Loa Loa (eye worm) TYRA-2 protein 0.0039 0.0123 0.0219
Schistosoma mansoni Smad4 0.0041 0.0143 0.0133
Echinococcus granulosus g-protein coupled receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0036 0.0099 0.0177
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0039 0.0123 0.0112
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0039 0.0123 0.0219
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Brugia malayi sulfakinin receptor protein 0.0039 0.0123 0.0219
Schistosoma mansoni opsin-like receptor 0.0039 0.0123 0.0112
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0193 0.3095
Loa Loa (eye worm) hypothetical protein 0.0036 0.0099 0.0177
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0251 0.1772 0.3154
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus neuropeptides capa receptor 0.0039 0.0123 0.0112
Schistosoma mansoni growth hormone secretagogue receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) latrophilin receptor protein 2 0.0079 0.0439 0.0782
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0039 0.0123 0.0112
Brugia malayi MH2 domain containing protein 0.0606 0.4531 0.8068
Echinococcus granulosus hypothetical protein 0.0039 0.0123 0.0112
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Onchocerca volvulus 0.004 0.0137 0.0225
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0143 0.0255
Schistosoma mansoni opsin-like receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0039 0.0123 0.0112
Brugia malayi GnHR receptor homolog 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.0123 0.0112
Echinococcus granulosus allatostatin A receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) neuropeptide F receptor 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus neuropeptide s receptor 0.0039 0.0123 0.0112
Echinococcus granulosus tumor protein p63 0.0731 0.5507 0.5502
Echinococcus granulosus alpha 1A adrenergic receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0171 0.1155 0.2056
Schistosoma mansoni neuropeptide f receptor 76f 0.0039 0.0123 0.0112
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0039 0.0123 0.02
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0099 0.2032
Echinococcus granulosus sex peptide receptor 0.0039 0.0123 0.0112
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni smad1 5 8 and 0.0041 0.0143 0.0133
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0039 0.0123 0.0112
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0193 0.3095
Loa Loa (eye worm) hypothetical protein 0.0048 0.0193 0.0344
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0075 0.0402 1
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) MH2 domain-containing protein 0.0606 0.4531 0.8068
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Echinococcus granulosus neuropeptides capa receptor 0.0039 0.0123 0.0112
Echinococcus granulosus neuropeptide FF receptor 2 0.0039 0.0123 0.0112
Echinococcus granulosus neuropeptide receptor 0.0039 0.0123 0.0112
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Toxoplasma gondii PAN/Apple domain-containing protein 0.004 0.0137 0.0244
Loa Loa (eye worm) hypothetical protein 0.0079 0.0439 0.0782
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0193 0.3095
Echinococcus multilocularis neuropeptides capa receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis fmrfamide receptor 0.0039 0.0123 0.0112
Echinococcus granulosus dro:myosuppressin receptor 0.0039 0.0123 0.0112
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0193 0.5
Echinococcus multilocularis serotonin receptor 0.0039 0.0123 0.0112
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0039 0.0123 0.0112
Mycobacterium ulcerans hypothetical protein 0.0048 0.0193 0.3095
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus nischarin 0.0763 0.5749 0.5744
Onchocerca volvulus 0.0039 0.0123 0.02
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0193 0.5
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0284 0.0273
Brugia malayi neuropeptide F receptor 0.0039 0.0123 0.0219
Echinococcus granulosus g protein coupled receptor 0.0039 0.0123 0.0112
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0075 0.0402 0.0392
Echinococcus multilocularis peptidase Clp (S14 family) 0.0049 0.0203 0.0192
Schistosoma mansoni histamine h1 receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Onchocerca volvulus 0.004 0.0137 0.0225
Toxoplasma gondii PAN domain-containing protein 0.004 0.0137 0.0244
Onchocerca volvulus Neuropeptide F receptor homolog 0.0039 0.0123 0.02
Onchocerca volvulus 0.0039 0.0123 0.02
Echinococcus multilocularis g protein coupled receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis Smad4 0.0041 0.0143 0.0133
Schistosoma mansoni hypothetical protein 0.0039 0.0123 0.0112
Echinococcus granulosus serotonin receptor 0.0039 0.0123 0.0112
Toxoplasma gondii microneme protein MIC4 0.004 0.0137 0.0244
Loa Loa (eye worm) hypothetical protein 0.0048 0.0193 0.0344
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0193 0.0344
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Brugia malayi Latrophilin receptor protein 2 0.0079 0.0439 0.0782
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0143 0.0133
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0143 0.0133
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0075 0.0402 0.0812
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) neuropeptide F receptor 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0039 0.0123 0.02
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0075 0.0402 1
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0137 0.0243
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0039 0.0123 0.0112
Onchocerca volvulus 0.0039 0.0123 0.02
Schistosoma mansoni hypothetical protein 0.0079 0.0439 0.0429
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0251 0.1772 0.3154
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0039 0.0123 0.0112
Echinococcus granulosus Smad4 0.0041 0.0143 0.0133
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0193 0.9208
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) intermediate filament protein 0.0024 0.0011 0.002
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis neuropeptide FF receptor 2 0.0039 0.0123 0.0112
Schistosoma mansoni opsin-like receptor 0.0039 0.0123 0.0112
Onchocerca volvulus 0.004 0.0137 0.0225
Brugia malayi MH2 domain containing protein 0.0041 0.0143 0.0255
Onchocerca volvulus 0.0039 0.0123 0.02
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0039 0.0123 0.0112
Toxoplasma gondii microneme protein MIC17A 0.004 0.0137 0.0244
Loa Loa (eye worm) melatonin receptor type 1A 0.0039 0.0123 0.0219
Brugia malayi latrophilin 2 splice variant baaae 0.0171 0.1155 0.2056
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0193 0.4498
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0039 0.0123 0.0112
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Brugia malayi intermediate filament protein 0.0024 0.0011 0.002
Schistosoma mansoni hypothetical protein 0.0079 0.0439 0.0429
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0143 0.0133
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0193 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.0123 0.0112
Echinococcus granulosus neuropeptide Y receptor 0.0039 0.0123 0.0112
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni myosin xvIII 0.0039 0.0123 0.0112
Brugia malayi MH2 domain containing protein 0.0041 0.0143 0.0255
Toxoplasma gondii microneme protein MIC17C 0.004 0.0137 0.0244
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0039 0.0123 0.0219
Schistosoma mansoni neuropeptide receptor 0.0039 0.0123 0.0112
Onchocerca volvulus 0.0039 0.0123 0.02
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.0123 0.0112
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0039 0.0123 0.0112
Brugia malayi Calcitonin receptor-like protein seb-1 0.0251 0.1772 0.3154
Brugia malayi TAR-binding protein 0.0059 0.0284 0.0505
Onchocerca volvulus 0.004 0.0137 0.0225
Brugia malayi hypothetical protein 0.0746 0.5616 1
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0137 0.0243
Schistosoma mansoni amine GPCR 0.0039 0.0123 0.0112
Schistosoma mansoni hypothetical protein 0.0039 0.0123 0.0112
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Schistosoma mansoni neuropeptide receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis serotonin receptor 0.0039 0.0123 0.0112
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0193 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0039 0.0123 0.0219
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) Smad1 0.0041 0.0143 0.0255
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0048 0.0193 0.0344
Onchocerca volvulus 0.0039 0.0123 0.02
Schistosoma mansoni smad 0.0041 0.0143 0.0133
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0049 0.0203 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0039 0.0123 0.0112
Onchocerca volvulus 0.0039 0.0123 0.02
Schistosoma mansoni adenoreceptor 0.0039 0.0123 0.0112
Brugia malayi Probable ClpP-like protease 0.0075 0.0402 0.0716
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.0123 0.0112
Schistosoma mansoni alpha-1 adrenergic receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis tar DNA binding protein 0.0059 0.0284 0.0273
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0039 0.0123 0.0112
Brugia malayi Intermediate filament tail domain containing protein 0.0024 0.0011 0.002
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0039 0.0123 0.02
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0039 0.0123 0.0112
Toxoplasma gondii microneme protein, putative 0.004 0.0137 0.0244
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0039 0.0123 0.0219
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0039 0.0123 0.02
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Schistosoma mansoni amine GPCR 0.0039 0.0123 0.0112
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0049 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0193 0.0344
Brugia malayi Smad1 0.0041 0.0143 0.0255
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0039 0.0123 0.0219
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis allatostatin A receptor 0.0039 0.0123 0.0112
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.0655 0.0644
Echinococcus granulosus g protein coupled receptor 0.0039 0.0123 0.0112
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis neuropeptide Y receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0024 0.0011 0.002
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0075 0.0402 0.0812
Echinococcus granulosus orexin receptor type 2 0.0039 0.0123 0.0112
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0193 0.9208
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0284 0.0273
Echinococcus granulosus neuropeptide receptor 0.0039 0.0123 0.0112
Echinococcus granulosus biogenic amine 5HT receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Schistosoma mansoni neuropeptide receptor 0.0039 0.0123 0.0112
Schistosoma mansoni smad1 5 8 and 0.0041 0.0143 0.0133
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0079 0.0439 0.0429
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0193 0.0344
Onchocerca volvulus 0.004 0.0137 0.0225
Onchocerca volvulus 0.0039 0.0123 0.02
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Onchocerca volvulus 0.004 0.0137 0.0225
Echinococcus multilocularis neuropeptide receptor 0.0039 0.0123 0.0112
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0193 0.3095
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0099 0.128
Loa Loa (eye worm) G-protein coupled receptor 0.0039 0.0123 0.0219
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0039 0.0123 0.0112
Brugia malayi Serotonin receptor 0.0039 0.0123 0.0219
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0079 0.0439 0.0429
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0079 0.0439 0.0782
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0039 0.0123 0.0219
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0193 0.4498
Brugia malayi putative neuropeptide receptor NPR1 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Toxoplasma gondii PAN domain-containing protein 0.0628 0.4703 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.0123 0.0112
Onchocerca volvulus 0.0039 0.0123 0.02
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0049 0.0203 0.4744
Brugia malayi neuropeptide F receptor 0.0039 0.0123 0.0219
Echinococcus multilocularis smad 0.0041 0.0143 0.0133
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0039 0.0123 0.0112
Brugia malayi Dopamine receptor protein 1 0.0039 0.0123 0.0219
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0193 0.3095
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0039 0.0123 0.0112
Echinococcus granulosus peptidase Clp S14 family 0.0049 0.0203 0.0192
Loa Loa (eye worm) RNA binding protein 0.0059 0.0284 0.0505
Toxoplasma gondii PAN domain-containing protein 0.0628 0.4703 1
Schistosoma mansoni amine GPCR 0.0039 0.0123 0.0112
Echinococcus granulosus G protein coupled receptor 139 0.0039 0.0123 0.0112
Brugia malayi hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0039 0.0123 0.02
Brugia malayi MH1 domain containing protein 0.0041 0.0143 0.0255
Brugia malayi ORL1-like opioid receptor 0.0039 0.0123 0.0219
Echinococcus granulosus somatostatin receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus smad 0.0041 0.0143 0.0133
Echinococcus multilocularis neuropeptide s receptor 0.0039 0.0123 0.0112
Toxoplasma gondii PAN domain-containing protein 0.004 0.0137 0.0244
Schistosoma mansoni hypothetical protein 0.0079 0.0439 0.0429
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Toxoplasma gondii hypothetical protein 0.004 0.0137 0.0244
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Schistosoma mansoni biogenic amine receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis dro:myosuppressin receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis GPCR, family 2 0.0079 0.0439 0.0429
Echinococcus multilocularis fmrfamide receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis G protein coupled receptor 139 0.0039 0.0123 0.0112
Brugia malayi Serotonin receptor 0.0039 0.0123 0.0219
Schistosoma mansoni hypothetical protein 0.0079 0.0439 0.0429
Brugia malayi putative neuropeptide receptor 0.0039 0.0123 0.0219
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0075 0.0402 0.0392
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Toxoplasma gondii PAN domain-containing protein 0.004 0.0137 0.0244
Echinococcus multilocularis G-protein coupled receptor, putative 0.0039 0.0123 0.0112
Onchocerca volvulus 0.0039 0.0123 0.02
Onchocerca volvulus 0.004 0.0137 0.0225
Loa Loa (eye worm) hypothetical protein 0.0075 0.0402 0.0716
Toxoplasma gondii PAN domain-containing protein 0.004 0.0137 0.0244
Echinococcus granulosus GPCR family 2 0.0079 0.0439 0.0429
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0059 0.0284 0.0505
Loa Loa (eye worm) hypothetical protein 0.0036 0.0099 0.0177
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0039 0.0123 0.0112
Schistosoma mansoni hypothetical protein 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0251 0.1772 0.3154
Onchocerca volvulus 0.004 0.0137 0.0225
Onchocerca volvulus 0.004 0.0137 0.0225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0079 0.0439 0.0429
Echinococcus granulosus g protein coupled receptor 0.0039 0.0123 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0284 0.0273
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0039 0.0123 0.0219
Brugia malayi G-protein coupled receptor 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis microtubule associated protein 2 0.131 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0039 0.0123 0.0112
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0039 0.0123 0.0112
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0024 0.0011 0.002
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus tachykinin peptides receptor 99D 0.0039 0.0123 0.0112
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0143 0.0133
Schistosoma mansoni hypothetical protein 0.0171 0.1155 0.1145
Schistosoma mansoni biogenic amine receptor 0.0039 0.0123 0.0112
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0039 0.0123 0.0112
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0039 0.0123 0.0219
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Schistosoma mansoni hypothetical protein 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0024 0.0008 0.0013
Brugia malayi AKH receptor 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis orexin receptor type 2 0.0039 0.0123 0.0112
Onchocerca volvulus 0.0039 0.0123 0.02
Brugia malayi MH1 domain containing protein 0.0041 0.0143 0.0255
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis g protein coupled receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0107 0.0655 0.1165
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0039 0.0123 0.0112
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0193 0.3095
Echinococcus multilocularis somatostatin receptor 0.0039 0.0123 0.0112
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0193 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 1
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0137 0.0243
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0193 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus tar DNA binding protein 0.0059 0.0284 0.0273
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.004 0.0137 0.0243
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Loa Loa (eye worm) hypothetical protein 0.0746 0.5616 1
Onchocerca volvulus 0.004 0.0137 0.0225
Loa Loa (eye worm) hypothetical protein 0.0036 0.0099 0.0177
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0123 0.0112
Toxoplasma gondii subtilisin SUB12 0.004 0.0137 0.0244
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0193 0.3095
Brugia malayi Dopamine receptor 0.0039 0.0123 0.0219
Echinococcus multilocularis neuropeptide Y receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0143 0.0255
Brugia malayi G-protein coupled receptor 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0107 0.0655 0.1149
Schistosoma mansoni neuropeptide receptor 0.0039 0.0123 0.0112
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0075 0.0402 1
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0137 0.0243
Brugia malayi follicle stimulating hormone receptor 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0036 0.0099 0.0177
Schistosoma mansoni amine GPCR 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Schistosoma mansoni neuropeptide F-like receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0123 0.0112
Echinococcus multilocularis nischarin 0.0763 0.5749 0.5744
Echinococcus granulosus neuropeptide receptor A26 0.0039 0.0123 0.0112
Echinococcus granulosus 7tm_1 domain containing protein 0.0039 0.0123 0.0112
Onchocerca volvulus Nischarin homolog 0.0745 0.561 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0039 0.0123 0.0219
Onchocerca volvulus 0.0039 0.0123 0.02
Brugia malayi RNA recognition motif domain containing protein 0.0059 0.0284 0.0505
Onchocerca volvulus 0.004 0.0137 0.0225
Echinococcus multilocularis g protein coupled receptor 0.0039 0.0123 0.0112
Schistosoma mansoni biogenic amine (5HT) receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) TAR-binding protein 0.0059 0.0284 0.0505
Onchocerca volvulus 0.0039 0.0123 0.02
Brugia malayi PAN domain containing protein 0.004 0.0137 0.0243
Brugia malayi larval opioid receptor 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0079 0.0439 0.0429
Schistosoma mansoni biogenic amine receptor 0.0039 0.0123 0.0112
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Loa Loa (eye worm) hypothetical protein 0.0039 0.0123 0.0219
Toxoplasma gondii microneme protein MIC17B 0.004 0.0137 0.0244

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.681 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.647 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.632 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.575 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.469 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.321 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.286 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.258 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) 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.
 
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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