Detailed information for compound 1650013

Basic information

Technical information
  • TDR Targets ID: 1650013
  • Name: 6-bromo-4-(1-bromopropyl)-2-[(E)-pent-2-en-4- ynyl]-3,9-dioxabicyclo[5.1.1]nonane
  • MW: 392.126 | Formula: C15H20Br2O2
  • H donors: 0 H acceptors: 0 LogP: 4.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C1CC(Br)C2CC(C(O1)C/C=C/C#C)O2)Br
  • InChi: 1S/C15H20Br2O2/c1-3-5-6-7-12-15-9-14(19-15)11(17)8-13(18-12)10(16)4-2/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+
  • InChiKey: QVSXXUNREJZJAN-AATRIKPKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-bromo-4-(1-bromopropyl)-2-pent-2-en-4-ynyl-3,9-dioxabicyclo[5.1.1]nonane
  • LAUREATIN
  • NSC122226
  • NCI60_000520

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 beta LACTamase domain containing family member 0.0113 0.1203 0.2103
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0559 0.0978
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0179 0.1488
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0327 0.0572
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0408 0.1118
Schistosoma mansoni ran 0.0026 0.0179 0.0313
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0163
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1203 0.2023
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0014 0.0045 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0233 0.0407
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.1203 0.1442
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0093 1
Entamoeba histolytica Ran family GTPase 0.0026 0.0179 0.3572
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0233 0.0407
Brugia malayi nuclear receptor NHR-88 0.0014 0.0045 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Brugia malayi MH2 domain containing protein 0.0118 0.1258 0.22
Onchocerca volvulus 0.0052 0.048 0.0766
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0101 0.0541
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0025 0.0166 0.029
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0163
Schistosoma mansoni coup transcription factor 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0127 0.1362 0.2381
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0101 0.0176
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1203 0.2023
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0093 0.0163
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0233 0.0407
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0233 0.0407
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0045 0.0079
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0057 0.0156
Loa Loa (eye worm) hypothetical protein 0.0113 0.1203 0.2103
Brugia malayi ecdysteroid receptor 0.003 0.0233 0.0407
Trichomonas vaginalis CAMK family protein kinase 0.05 0.5719 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.1062 0.1062
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1258 0.22
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0097 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0029 0.0079
Loa Loa (eye worm) inositol-1 0.0037 0.0305 0.0533
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0166 0.3006
Brugia malayi hypothetical protein 0.0016 0.0065 0.0114
Brugia malayi beta-lactamase family protein 0.0113 0.1203 0.2103
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0724 0.8342 1
Brugia malayi follicle stimulating hormone receptor 0.027 0.3028 0.5294
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0305 0.0836
Loa Loa (eye worm) hypothetical protein 0.0113 0.1203 0.2103
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0233 0.0407
Schistosoma mansoni nuclear receptor nhr-48 0.0014 0.0045 0.0079
Loa Loa (eye worm) hypothetical protein 0.0025 0.0166 0.029
Toxoplasma gondii hypothetical protein 0.0052 0.0486 0.4039
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0101 0.0278
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0327 0.0327
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0287 0.0787
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0327 0.0572
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0179 0.049
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1203 0.2023
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0305 0.0836
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0101 0.0277
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0233 0.0407
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0408 0.1118
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0101 0.0278
Schistosoma mansoni hypothetical protein 0.004 0.0344 0.0601
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Brugia malayi nuclear receptor RXR 0.0014 0.0045 0.0079
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0166 0.089
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0287 0.0787
Echinococcus granulosus FTZ F1 alpha 0.003 0.0233 0.0407
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0045 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0233 0.0407
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0097 0.0169
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0045 0.0079
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.021 0.0269
Echinococcus granulosus dna polymerase kappa 0.0019 0.0097 0.0169
Echinococcus multilocularis dna polymerase eta 0.0019 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0374 0.4246 0.7424
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0233 0.0407
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0097 0.007
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0016 0.0063 0.011
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0045 0.0079
Onchocerca volvulus 0.0025 0.0166 0.0213
Trypanosoma brucei unspecified product 0.0013 0.0029 0.0079
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0101 0.0176
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0179 0.0313
Mycobacterium ulcerans putative regulatory protein 0.0044 0.0388 0.2084
Schistosoma mansoni ran 0.0026 0.0179 0.0313
Brugia malayi nuclear receptor RXR 0.0016 0.0065 0.0114
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1062 0.1857
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0097 0.0519
Plasmodium falciparum importin beta, putative 0.0035 0.0287 1
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1203 0.3297
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0163
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Schistosoma mansoni thyroid hormone receptor 0.003 0.0233 0.0407
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0097 0.0265
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0305 0.0836
Schistosoma mansoni nuclear receptor 0.0014 0.0045 0.0079
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1258 0.22
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0045 0.0079
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0101 0.0277
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0233 0.0407
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0166 0.0199
Mycobacterium tuberculosis Conserved hypothetical protein 0.017 0.1864 0.2234
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0179 0.0774
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0233 0.0407
Schistosoma mansoni hypothetical protein 0.039 0.4435 0.7756
Brugia malayi nuclear receptor NHR-67 0.0014 0.0045 0.0079
Loa Loa (eye worm) hypothetical protein 0.0019 0.0097 0.0169
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0097 0.0169
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0112 0.1182 0.2068
Leishmania major mitochondrial DNA polymerase beta 0.0323 0.3648 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0166 0.0455
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0081 0.0097
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0097 0.0169
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0179 0.0179
Leishmania major DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1062 0.1857
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0179 0.049
Loa Loa (eye worm) hypothetical protein 0.0186 0.2049 0.3583
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.1203 0.3297
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.1662 0.4556
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0045 0.0079
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1203 0.2103
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.1203 0.1442
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0114
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0233 0.0233
Echinococcus granulosus GPCR family 2 0.0018 0.0093 0.0163
Echinococcus granulosus snurportin 1 0.0374 0.4246 0.7424
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Mycobacterium ulcerans beta-lactamase 0.0113 0.1203 0.6454
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.021 0.0269
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.1062 0.1062
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0166 0.089
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.021 0.0574
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0233 0.0407
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0166 0.029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0233 0.0407
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0166 0.1379
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0305 0.0438
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0101 0.0277
Loa Loa (eye worm) hypothetical protein 0.0113 0.1203 0.2103
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.05 0.5719 0.5719
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.1203 0.6454
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0163
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0114
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0179 0.049
Brugia malayi Inositol-1 0.0037 0.0305 0.0533
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0015 0.0057 0.01
Mycobacterium leprae Probable lipase LipE 0.0113 0.1203 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0166 0.089
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0233 0.0233
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0305 0.0438
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0179 0.0313
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0093 0.0499
Brugia malayi Importin beta-1 subunit 0.0035 0.0287 0.0502
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0029 0.0079
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0166 0.089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.1062 0.1857
Schistosoma mansoni inositol monophosphatase 0.0037 0.0305 0.0533
Leishmania major hypothetical protein, conserved 0.0113 0.1203 0.3297
Schistosoma mansoni importin beta-1 0.0035 0.0287 0.0502
Entamoeba histolytica hypothetical protein 0.0038 0.0327 1
Schistosoma mansoni hypothetical protein 0.0052 0.048 0.0839
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0081 0.0097
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0233 0.0233
Plasmodium vivax importin-beta 2, putative 0.0035 0.0287 0.1747
Mycobacterium ulcerans hypothetical protein 0.017 0.1864 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0233 0.0407
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1203 0.2023
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0559 0.0978
Brugia malayi Cytochrome P450 family protein 0.0019 0.0101 0.0176
Mycobacterium ulcerans hypothetical protein 0.0113 0.1203 0.6454
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.026 0.0312
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0114
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0233 0.0331
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0163
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0114
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0233 0.0233
Schistosoma mansoni hypothetical protein 0.039 0.4435 0.7756
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0344 0.0601
Echinococcus multilocularis aryl hydrocarbon receptor 0.0127 0.1368 0.1368
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Loa Loa (eye worm) DR-78 0.0014 0.0045 0.0079
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Trichomonas vaginalis importin beta-1, putative 0.0028 0.021 0.0269
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.1203 0.2103
Leishmania major importin beta-1 subunit, putative 0.0028 0.021 0.0574
Brugia malayi hypothetical protein 0.0014 0.0045 0.0079
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0233 0.0407
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0093 0.0163
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0045 0.0079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0233 0.0407
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0305 0.2535
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.2049 0.3532
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0081 0.0097
Schistosoma mansoni thyroid hormone receptor 0.003 0.0233 0.0407
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0233 0.0407
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0093 0.0163
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Onchocerca volvulus 0.0113 0.1203 0.204
Mycobacterium leprae conserved hypothetical protein 0.0113 0.1203 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.1203 0.1442
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1203 0.2103
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0163
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0233 0.0407
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0323 0.3648 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.283 0.4948
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0045 0.0045
Schistosoma mansoni nuclear receptor 0.0014 0.0045 0.0079
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0305 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.1203 0.1203
Onchocerca volvulus 0.0044 0.0394 0.0615
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0097 0.0265
Loa Loa (eye worm) hypothetical protein 0.0035 0.0287 0.0502
Brugia malayi steroid hormone receptor 0.003 0.0233 0.0407
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1203 0.2023
Echinococcus granulosus dna polymerase eta 0.0019 0.0097 0.0169
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.1062 0.1857
Giardia lamblia Kinase, TTK 0.05 0.5719 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0305 0.1636
Brugia malayi beta-lactamase family protein 0.0113 0.1203 0.2103
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.05 0.5719 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.026 0.2163
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0029 0.0079
Schistosoma mansoni nuclear hormone receptor 0.003 0.0233 0.0407
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0166 0.089
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0097 0.007
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0166 0.0455
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0065 0.0114
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0045 0.0079
Entamoeba histolytica hypothetical protein 0.0038 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0163
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0153 0.1662 0.4556
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0045 0.0079
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0233 0.0407
Brugia malayi Protein kinase domain containing protein 0.05 0.5719 1
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0305 0.0533
Onchocerca volvulus 0.0127 0.1362 0.232
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0233 0.0407
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0065 0.0114
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0097 0.0169
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0305 0.0836
Brugia malayi ecdysone receptor 0.0014 0.0045 0.0079
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0045 0.0079
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0163
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0014 0.0045 0.0079
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0045 0.0045
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0233 0.0233
Leishmania major DNA polymerase eta, putative 0.0019 0.0097 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0114
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Trypanosoma brucei unspecified product 0.0013 0.0029 0.0079
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0016 0.0063 0.011
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0065 0.0114
Loa Loa (eye worm) hypothetical protein 0.004 0.0344 0.0601
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0233 0.0407
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0305 0.0438
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0097 0.0265
Leishmania major cytochrome p450-like protein 0.0019 0.0101 0.0277
Mycobacterium tuberculosis Conserved protein 0.0113 0.1203 0.1442
Loa Loa (eye worm) hypothetical protein 0.0113 0.1203 0.2103
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0305 0.9044
Echinococcus multilocularis snurportin 1 0.0374 0.4246 0.4246
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.283 0.4948
Brugia malayi hypothetical protein 0.0253 0.283 0.4948
Leishmania major protein kinase, putative 0.0023 0.0148 0.0406
Brugia malayi PAS domain containing protein 0.0059 0.0568 0.0992
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0166 0.089
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0081 0.0097
Loa Loa (eye worm) hypothetical protein 0.0112 0.1188 0.2078
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0179 0.4428
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0323 0.3648 1
Mycobacterium tuberculosis Conserved protein 0.0113 0.1203 0.1442
Brugia malayi tailless protein 0.0014 0.0045 0.0079
Schistosoma mansoni survival motor neuron protein 0.0052 0.048 0.0839
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Trichomonas vaginalis CAMK family protein kinase 0.05 0.5719 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0045 0.0079
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0179 0.0146
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.1062 0.1857
Onchocerca volvulus 0.0113 0.1203 0.204
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0097 0.0265
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0016 0.0063 0.0063
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0233 0.0407
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0179 0.0313
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0057 0.0156
Leishmania major GTP-binding protein, putative 0.0026 0.0179 0.049
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0287 0.2386
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0166 0.029
Trichomonas vaginalis esterase, putative 0.0113 0.1203 0.2023
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0408 0.1118
Schistosoma mansoni hypothetical protein 0.0038 0.0327 0.0572
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0233 0.0331
Loa Loa (eye worm) hypothetical protein 0.0058 0.0559 0.0978
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0233 0.0407
Trichomonas vaginalis ran, putative 0.0026 0.0179 0.0215
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.1203 0.2103
Loa Loa (eye worm) hypothetical protein 0.0025 0.0166 0.029
Mycobacterium ulcerans lipase LipD 0.0113 0.1203 0.6454
Echinococcus granulosus single minded 2 0.0044 0.0388 0.0679
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Onchocerca volvulus 0.003 0.0233 0.0331
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0097 0.0097
Loa Loa (eye worm) follicle stimulating hormone receptor 0.027 0.3028 0.5294
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0045 0.0079
Entamoeba histolytica hypothetical protein 0.0038 0.0327 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.1062 0.1857
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0065 0.0114
Mycobacterium leprae Possible regulatory protein 0.0015 0.0057 0.0474
Entamoeba histolytica hypothetical protein 0.0028 0.021 0.4903
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0097 0.0097
Brugia malayi bHLH-PAS transcription factor 0.0044 0.0388 0.0679
Loa Loa (eye worm) TTK protein kinase 0.05 0.5719 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.1203 0.6454
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0524 0.1436
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.1203 0.1442
Schistosoma mansoni zinc finger protein 0.0014 0.0045 0.0079
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0287 0.0287
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.048 0.0839
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0057 0.0156
Echinococcus granulosus geminin 0.039 0.4435 0.7756
Brugia malayi hypothetical protein 0.0014 0.0045 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1203 0.3297
Brugia malayi beta-lactamase 0.0113 0.1203 0.2103
Schistosoma mansoni single-minded 0.0059 0.0568 0.0992
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0065 0.0065
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0065 0.0114
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.05 0.5719 1
Brugia malayi Cytochrome P450 family protein 0.0048 0.0439 0.0768
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0163
Echinococcus granulosus importin subunit beta 1 0.0035 0.0287 0.0502
Plasmodium vivax hypothetical protein, conserved 0.0113 0.1203 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0101 0.0278
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0233 0.0331
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0113 0.1203 0.2103
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0559 0.0978
Echinococcus multilocularis transfer RNA-Lys 0.0044 0.0388 0.0388
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.1203 0.1442
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0153 0.1662 0.4556
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.1203 0.1442
Brugia malayi nuclear receptor NHR-88 0.003 0.0233 0.0407
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Toxoplasma gondii ABC1 family protein 0.0113 0.1203 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0166 0.1379
Brugia malayi Cytochrome P450 family protein 0.0019 0.0101 0.0176
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0408 0.1118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0045 0.0045
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0045 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0233 0.0407
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0097 0.0519
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0045 0.0079
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0097 0.0169
Brugia malayi nuclear hormone receptor 0.0014 0.0045 0.0079
Leishmania major protein kinase, putative 0.0019 0.0101 0.0278
Schistosoma mansoni DNA polymerase eta 0.0019 0.0097 0.0169
Echinococcus multilocularis geminin 0.039 0.4435 0.4435
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0093 0.0093
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0093 0.0112
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0233 0.0233
Mycobacterium tuberculosis Conserved protein 0.0113 0.1203 0.1442
Brugia malayi N-terminal motif family protein 0.0186 0.2049 0.3583
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0166 0.3006
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0323 0.3648 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Brugia malayi hypothetical protein 0.0016 0.0065 0.0114
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.05 0.5719 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0233 0.0407
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0112 0.1182 0.2068
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0166 0.3006
Brugia malayi conserved hypotetical protein 0.0014 0.0045 0.0079
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0166 0.0199
Loa Loa (eye worm) beta-lactamase 0.0113 0.1203 0.2103
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0045 0.0045
Brugia malayi hypothetical protein 0.0015 0.0057 0.01
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Trypanosoma brucei unspecified product 0.0019 0.0097 0.0265
Loa Loa (eye worm) hypothetical protein 0.0113 0.1203 0.2103
Echinococcus multilocularis GPCR, family 2 0.0018 0.0093 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0233 0.0233
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0101 0.0176
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0163
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0233 0.0407
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0045 0.0079
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0166 0.089
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0166 0.089
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0097 0.0265
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0233 0.0407
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0166 0.029
Schistosoma mansoni inositol monophosphatase 0.0037 0.0305 0.0533
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0045 0.0045
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0097 0.0116
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0233 0.0407
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0233 0.0407
Brugia malayi nuclear hormone receptor 0.003 0.0233 0.0407
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0093 0.0163
Entamoeba histolytica hypothetical protein 0.0038 0.0327 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0093 0.0163
Echinococcus granulosus aryl hydrocarbon receptor 0.0127 0.1368 0.2391
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0305 0.0305
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0439 0.0768
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0045 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0233 0.0407
Brugia malayi RNA, U transporter 1 0.01 0.1041 0.1821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0233 0.0407
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0374 0.4246 0.7424
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0097 0.0265
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.1203 0.1442
Schistosoma mansoni aryl hydrocarbon receptor 0.0171 0.1878 0.3284
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0045 0.0079
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0101 0.0278
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.283 0.283
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0166 0.0455
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0065 0.0114
Onchocerca volvulus 0.0113 0.1203 0.204
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0045 0.0079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0233 0.0407
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0097 0.0265
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0233 0.0407
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0097 0.0169
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1062 0.1857
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0233 0.0407
Loa Loa (eye worm) hypothetical protein 0.003 0.0233 0.0407
Brugia malayi hypothetical protein 0.0038 0.0327 0.0572
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0097 0.0265

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.947 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) -4.642 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) -4.467 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) -4.404 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) -4.196 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) -4.094 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) -4.049 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 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 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
GI50 (functional) -4 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.