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

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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