Detailed information for compound 1773977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.276 | Formula: C20H20Cl2O5
  • H donors: 3 H acceptors: 4 LogP: 6.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C(=O)c2cc(O)cc(c2CC=C(C)C)O)c(O)c(c(c1Cl)C)Cl
  • InChi: 1S/C20H20Cl2O5/c1-9(2)5-6-12-13(7-11(23)8-14(12)24)18(25)15-19(26)16(21)10(3)17(22)20(15)27-4/h5,7-8,23-24,26H,6H2,1-4H3
  • InChiKey: YBQVWBAUWFCZTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Brugia malayi ImpB/MucB/SamB family protein 0.0091 0.2024 0.2024
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Loa Loa (eye worm) hypothetical protein 0.0058 0.1001 0.1001
Leishmania major DNA polymerase eta, putative 0.0091 0.2024 0.7796
Echinococcus multilocularis acetylcholinesterase 0.015 0.3821 0.5992
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Schistosoma mansoni tsg101-related 0.0067 0.1288 0.202
Trypanosoma brucei DNA polymerase eta, putative 0.0091 0.2024 0.7796
Leishmania major DNA polymerase eta, putative 0.0049 0.0719 0.2729
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1001 0.1001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0854 0.134
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Schistosoma mansoni serine/threonine protein kinase 0.011 0.2592 0.4064
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0081 0.1703 0.267
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.2592 0.2592
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0122 0.0411
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.3821 0.5992
Plasmodium falciparum flap endonuclease 1 0.003 0.0152 1
Echinococcus multilocularis hormone sensitive lipase 0.0233 0.6377 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0093 0.2064 0.7964
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0152 0.0526
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0719 0.2729
Loa Loa (eye worm) hypothetical protein 0.0091 0.2024 0.2024
Giardia lamblia Kinase, PLK 0.011 0.2592 1
Echinococcus granulosus hormone sensitive lipase 0.0233 0.6377 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0854 0.134
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0506 0.0794
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0854 0.134
Mycobacterium tuberculosis Conserved hypothetical protein 0.0062 0.1116 0.8258
Trypanosoma cruzi DNA polymerase eta, putative 0.0091 0.2024 0.7796
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1001 0.1001
Brugia malayi Flap endonuclease-1 0.003 0.0152 0.0152
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.2592 0.2592
Echinococcus multilocularis dna polymerase eta 0.0091 0.2024 0.3174
Brugia malayi Carboxylesterase family protein 0.015 0.3821 0.3821
Trypanosoma brucei DNA polymerase IV, putative 0.0085 0.1829 0.7038
Entamoeba histolytica deoxycytidyl transferase, putative 0.0062 0.1116 0.3951
Mycobacterium ulcerans DNA polymerase IV 0.0093 0.2064 1
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.2592 1
Trypanosoma brucei DNA polymerase IV, putative 0.0093 0.2064 0.7951
Entamoeba histolytica hypothetical protein 0.0042 0.0506 0.1452
Loa Loa (eye worm) hypothetical protein 0.015 0.3821 0.3821
Brugia malayi Carboxylesterase family protein 0.015 0.3821 0.3821
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.348 0.348
Echinococcus multilocularis dna polymerase kappa 0.0093 0.2064 0.3236
Mycobacterium ulcerans DNA polymerase IV 0.0093 0.2064 1
Brugia malayi hypothetical protein 0.0081 0.1703 0.1703
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0069 0.1351 0.5183
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0069 0.1351 1
Entamoeba histolytica hypothetical protein 0.0042 0.0506 0.1452
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0122 0.0411
Loa Loa (eye worm) hypothetical protein 0.004 0.0438 0.0438
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0152 0.1575
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0152 0.0586
Loa Loa (eye worm) hypothetical protein 0.015 0.3821 0.3821
Echinococcus granulosus geminin 0.0197 0.5266 0.8257
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0233 0.6377 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0152 0.0526
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0152 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.0759
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0062 0.1116 0.1749
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0891 0.3436
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.2592 0.2592
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0351 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.348 0.348
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0062 0.1116 0.1749
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0438 0.0438
Leishmania major DNA polymerase kappa, putative 0.0069 0.1351 0.5183
Trichomonas vaginalis hypothetical protein 0.0039 0.0431 0.1663
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.2592 0.4064
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1001 0.1001
Brugia malayi hypothetical protein 0.0029 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0763 0.2902
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0506 0.0794
Trypanosoma brucei DNA polymerase IV, putative 0.0093 0.2064 0.7951
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0854 0.134
Echinococcus multilocularis flap endonuclease 1 0.003 0.0152 0.0238
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Entamoeba histolytica hypothetical protein 0.0042 0.0506 0.1452
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.1116 0.1116
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Trichomonas vaginalis CAMK family protein kinase 0.011 0.2592 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1703 0.1703
Echinococcus granulosus carboxylesterase 5A 0.015 0.3821 0.5992
Loa Loa (eye worm) carboxylesterase 0.015 0.3821 0.3821
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0152 0.0526
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0081 0.1703 0.267
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.2592 0.4064
Trypanosoma brucei unspecified product 0.0085 0.1829 0.7038
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0891 0.3436
Echinococcus multilocularis carboxylesterase 5A 0.015 0.3821 0.5992
Brugia malayi MH2 domain containing protein 0.0139 0.348 0.348
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.2592 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0854 0.0854
Schistosoma mansoni tsg101-related 0.0067 0.1288 0.202
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0122 0.1132
Loa Loa (eye worm) acetylcholinesterase 1 0.015 0.3821 0.3821
Onchocerca volvulus 0.0351 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Echinococcus granulosus flap endonuclease 1 0.003 0.0152 0.0238
Trypanosoma brucei polo-like protein kinase 0.011 0.2592 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0062 0.1116 0.1116
Loa Loa (eye worm) hypothetical protein 0.0233 0.6377 0.6377
Brugia malayi polk-prov protein 0.005 0.0759 0.0759
Echinococcus granulosus dna polymerase kappa 0.0093 0.2064 0.3236
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0233 0.6377 1
Giardia lamblia DINP protein human, muc B family 0.0069 0.1351 0.4915
Schistosoma mansoni kinase 0.0056 0.0935 0.1466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0854 0.134
Trypanosoma cruzi DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Schistosoma mansoni hypothetical protein 0.0042 0.0506 0.0794
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0763 0.2902
Leishmania major hypothetical protein, conserved 0.0029 0.0122 0.0411
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0759 0.2883
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0759 0.2883
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Brugia malayi hypothetical protein 0.0042 0.0506 0.0506
Schistosoma mansoni flap endonuclease-1 0.0027 0.0063 0.0098
Schistosoma mansoni hypothetical protein 0.004 0.0438 0.0687
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0049 0.0719 1
Schistosoma mansoni DNA polymerase eta 0.0091 0.2024 0.3174
Echinococcus granulosus acetylcholinesterase 0.015 0.3821 0.5992
Echinococcus multilocularis acetylcholinesterase 0.015 0.3821 0.5992
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0506 0.0794
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Echinococcus multilocularis geminin 0.0197 0.5266 0.8257
Trypanosoma brucei unspecified product 0.0043 0.0528 0.1988
Trypanosoma brucei unspecified product 0.0043 0.0528 0.1988
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.1351 0.5183
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0062 0.1116 0.1749
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0854 0.134
Echinococcus granulosus dna polymerase eta 0.0091 0.2024 0.3174
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0055 0.091 0.3107
Schistosoma mansoni tsg101-related 0.0055 0.091 0.1427
Entamoeba histolytica hypothetical protein 0.0042 0.0506 0.1452
Trypanosoma cruzi DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Loa Loa (eye worm) hypothetical protein 0.0029 0.0122 0.0122
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0093 0.2064 0.7964
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.2592 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0854 0.0854
Schistosoma mansoni hypothetical protein 0.0197 0.5266 0.8257
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0122 0.0411
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0763 0.2902
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0233 0.6377 1
Echinococcus granulosus acetylcholinesterase 0.015 0.3821 0.5992
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0062 0.1116 0.1749
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.2064 0.7951
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.2592 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0854 0.134
Schistosoma mansoni hypothetical protein 0.0197 0.5266 0.8257

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.

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