Detailed information for compound 1773974

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.286 | Formula: C21H20Cl2O6
  • H donors: 3 H acceptors: 4 LogP: 6.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C2OC(=O)c3c2c(CC=C(C)C)c(O)cc3O)c(O)c(c(c1Cl)C)Cl
  • InChi: 1S/C21H20Cl2O6/c1-8(2)5-6-10-11(24)7-12(25)14-13(10)19(29-21(14)27)15-18(26)16(22)9(3)17(23)20(15)28-4/h5,7,19,24-26H,6H2,1-4H3
  • InChiKey: AMZVUHJBCYQCJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi hypothetical protein 0.0316 0.2577 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0226 0.3028
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0193 0.0193
Echinococcus multilocularis dna polymerase eta 0.0082 0.0518 0.0485
Schistosoma mansoni hypothetical protein 0.0177 0.1355 0.1345
Echinococcus granulosus geminin 0.0177 0.1355 0.1325
Trypanosoma brucei polo-like protein kinase 0.0099 0.0665 0.0665
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Trypanosoma brucei unspecified product 0.0038 0.0132 0.0132
Leishmania major DNA polymerase kappa, putative 0.0062 0.0344 0.0344
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.0665 0.1089
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0035 0.1575
Loa Loa (eye worm) hypothetical protein 0.0045 0.0192 0.0165
Mycobacterium ulcerans hypothetical protein 0.0683 0.5818 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0254 0.089
Loa Loa (eye worm) hypothetical protein 0.0664 0.5646 0.5634
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Trypanosoma brucei DNA polymerase IV, putative 0.0076 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0073 0.0435 0.0409
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0109 0.032
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0193 0.0193
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.0665 0.0639
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0055 0.0284 0.025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0216 0.0741
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0055 0.0284 0.0257
Loa Loa (eye worm) hypothetical protein 0.0036 0.0109 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0216 0.0182
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0126 0.0092
Giardia lamblia DINP protein human, muc B family 0.0062 0.0344 0.0535
Loa Loa (eye worm) hypothetical protein 0.1158 1 1
Trichomonas vaginalis hypothetical protein 0.0035 0.0107 0.1144
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0683 0.5818 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0035 0.0035
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0216 0.019
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0665 0.0665
Schistosoma mansoni hypothetical protein 0.0036 0.0109 0.0097
Loa Loa (eye worm) hypothetical protein 0.0316 0.2577 0.2556
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0254 0.089
Trypanosoma brucei DNA polymerase IV, putative 0.0083 0.0529 0.0529
Trichomonas vaginalis DNA polymerase eta, putative 0.0083 0.0529 0.7837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0254 0.0227
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0126 0.0092
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0665 0.0665
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0193 0.0193
Brugia malayi hypothetical protein 0.0073 0.0435 0.16
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0044 0.0181 1
Schistosoma mansoni tsg101-related 0.0049 0.0231 0.0219
Schistosoma mansoni hypothetical protein 0.0177 0.1355 0.1345
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0027 0.1132
Trypanosoma cruzi DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0073 0.0435 0.0402
Schistosoma mansoni tsg101-related 0.006 0.0328 0.0317
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.0665 0.0665
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Loa Loa (eye worm) hypothetical protein 0.1138 0.9828 0.9827
Plasmodium falciparum flap endonuclease 1 0.0027 0.0035 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0254 0.0227
Entamoeba histolytica hypothetical protein 0.0038 0.0126 0.0158
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0035 0.0008
Brugia malayi ImpB/MucB/SamB family protein 0.0082 0.0518 0.1926
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.0665 0.25
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0494 0.415 0.415
Leishmania major DNA polymerase eta, putative 0.0044 0.0181 0.0181
Leishmania major DNA polymerase eta, putative 0.0082 0.0518 0.0518
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0894 0.0869
Echinococcus granulosus dna polymerase eta 0.0082 0.0518 0.0485
Loa Loa (eye worm) hypothetical protein 0.0082 0.0518 0.0492
Onchocerca volvulus 0.1158 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0027 0.0027
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0494 0.415 0.415
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0126 0.0115
Schistosoma mansoni kinase 0.005 0.0237 0.0225
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0035 0.0035
Brugia malayi ImpB/MucB/SamB family protein 0.0055 0.0284 0.1006
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1158 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0226 0.3028
Schistosoma mansoni tsg101-related 0.006 0.0328 0.0317
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0062 0.0344 0.0344
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0035 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0494 0.415 0.415
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0665 1
Leishmania major hypothetical protein, conserved 0.0026 0.0027 0.0027
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1138 0.9828 0.9828
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0049 0.0231 0.0338
Echinococcus multilocularis geminin 0.0177 0.1355 0.1325
Onchocerca volvulus 0.0316 0.2577 0.2048
Brugia malayi Flap endonuclease-1 0.0027 0.0035 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Brugia malayi hypothetical protein 0.0038 0.0126 0.0389
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0035 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0216 0.0182
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0494 0.415 0.415
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0665 0.0654
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.0344 0.0344
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1138 0.9828 0.9828
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0683 0.5818 1
Entamoeba histolytica hypothetical protein 0.0038 0.0126 0.0158
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0062 0.0344 1
Entamoeba histolytica hypothetical protein 0.0038 0.0126 0.0158
Trypanosoma brucei unspecified product 0.0038 0.0132 0.0132
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0192 0.0192
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0055 0.0284 0.025
Entamoeba histolytica deoxycytidyl transferase, putative 0.0055 0.0284 0.043
Brugia malayi polk-prov protein 0.0045 0.0192 0.0645
Schistosoma mansoni 6-phosphofructokinase 0.1158 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0894 0.0869
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0055 0.0284 0.0272
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0038 0.0126 0.0115
Trypanosoma brucei DNA polymerase eta, putative 0.0082 0.0518 0.0518
Giardia lamblia Kinase, PLK 0.0099 0.0665 0.1089
Echinococcus granulosus dna polymerase kappa 0.0083 0.0529 0.0495
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1138 0.9828 0.9828
Trypanosoma brucei DNA polymerase IV, putative 0.0083 0.0529 0.0529
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0073 0.0435 0.0402
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.0665 0.0632
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0192 0.0192
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0216 0.0205
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1158 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0216 0.0205
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1138 0.9828 0.9828
Giardia lamblia Hypothetical protein 0.0683 0.5818 1
Echinococcus multilocularis dna polymerase kappa 0.0083 0.0529 0.0495
Schistosoma mansoni terminal deoxycytidyl transferase 0.0055 0.0284 0.0272
Trypanosoma cruzi DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0216 0.0182
Brugia malayi MH2 domain containing protein 0.0125 0.0894 0.34
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0181 0.0181
Trypanosoma cruzi DNA polymerase kappa, putative 0.0083 0.0529 0.0529
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.0665 0.0632
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0216 0.0205
Schistosoma mansoni DNA polymerase eta 0.0082 0.0518 0.0507
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0216 0.0182
Trypanosoma brucei unspecified product 0.0076 0.0468 0.0468
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0027 0.0027
Entamoeba histolytica hypothetical protein 0.0038 0.0126 0.0158
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0083 0.0529 0.7837
Trypanosoma cruzi DNA polymerase eta, putative 0.0082 0.0518 0.0518
Giardia lamblia Hypothetical protein 0.0683 0.5818 1

Activities

No activities found for this compound.

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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