Detailed information for compound 2231295

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 995.468 | Formula: C57H65N5O11
  • H donors: 3 H acceptors: 6 LogP: 5.4 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC1=C[C@H]2CN(C1)/C(=C(\Cc1c([C@@](C2)(C(=O)OC)c2cc3c(cc2OC)N([C@@H]2[C@@]43CCN3[C@H]4[C@@]([C@H]([C@]2(O)C(=O)OC)OC(=O)C)(CC)C=CC3)C)[nH]c2c1cccc2)/C(=O)OC)/C(=O)NCc1ccccc1
  • InChi: InChI=1S/C57H65N5O11/c1-9-34-25-36-29-56(52(66)71-7,46-38(37-19-14-15-20-42(37)59-46)26-39(48(65)70-6)45(62(31-34)32-36)47(64)58-30-35-17-12-11-13-18-35)41-27-40-43(28-44(41)69-5)60(4)50-55(40)22-24-61-23-16-21-54(10-2,49(55)61)51(73-33(3)63)57(50,68)53(67)72-8/h11-21,25,27-28,36,49-51,59,68H,9-10,22-24,26,29-32H2,1-8H3,(H,58,64)/b45-39+/t36-,49+,50-,51-,54-,55-,56+,57+/m1/s1
  • InChiKey: JYNSQZYXYMMRCR-GILUKULGSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Leishmania major hypothetical protein, conserved 0.0115 0 0.5
Onchocerca volvulus 0.0303 0.9872 1
Entamoeba histolytica SH2 domain containing protein 0.0188 0.3867 0.3867
Echinococcus multilocularis NCK adaptor protein 0.0188 0.3867 0.3917
Brugia malayi Variant SH3 domain containing protein 0.0188 0.3867 0.3917
Schistosoma mansoni tyrosine kinase 0.0303 0.9872 1
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Echinococcus granulosus SH2 domain containing adapter protein F 0.0188 0.3867 0.3917
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0188 0.3867 0.3917
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Echinococcus multilocularis 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0303 0.9872 1
Brugia malayi Protein kinase domain containing protein 0.0303 0.9872 1
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Echinococcus granulosus NCK adaptor protein 0.0188 0.3867 0.3917
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.1813 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0188 0.3867 0.3917
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Schistosoma mansoni signal transduction protein lnk-related 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase Blk 0.0303 0.9872 1
Echinococcus granulosus SH2 motif 0.0188 0.3867 0.3917
Onchocerca volvulus 0.0188 0.3867 0.3917
Leishmania major protein kinase, putative 0.0115 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0303 0.9872 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0149 0.1813 0.5
Schistosoma mansoni tensin 0.0188 0.3867 0.3917
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0188 0.3867 0.3917
Leishmania major protein kinase, putative 0.0115 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0303 0.9872 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Schistosoma mansoni adapter molecule crk 0.0188 0.3867 0.3917
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Echinococcus multilocularis tensin 0.0188 0.3867 0.3917
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.1813 0.5
Brugia malayi RhoGAP domain containing protein 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine protein kinase Srms 0.0303 0.9872 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0303 0.9872 1
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Echinococcus granulosus signal transduction protein lnk realted 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0303 0.9872 1
Echinococcus granulosus SH2 motif 0.0188 0.3867 0.3917
Trypanosoma brucei Pseudokinase, putative 0.0115 0 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0303 0.9872 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0303 0.9872 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Onchocerca volvulus 0.0188 0.3867 0.3917
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0305 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0188 0.3867 0.3917
Plasmodium falciparum protein kinase, putative 0.0115 0 0.5
Echinococcus granulosus tensin 0.0188 0.3867 0.3917
Schistosoma mansoni tensin 0.0188 0.3867 0.3917
Echinococcus multilocularis signal transduction protein lnk realted 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine protein kinase Src64B 0.0303 0.9872 1
Brugia malayi Variant SH3 domain containing protein 0.0188 0.3867 0.3917
Echinococcus granulosus c src tyrosine kinase 0.0303 0.9872 1
Brugia malayi cytokine inducible SH2-containing protein 5 0.0188 0.3867 0.3917
Schistosoma mansoni growth factor receptor-bound protein 0.0188 0.3867 0.3917
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0188 0.3867 0.3917
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Echinococcus multilocularis SH2 domain containing protein 7 0.0188 0.3867 0.3917
Brugia malayi tRNA modification GTPase TrmE family protein 0.0188 0.3867 0.3917
Brugia malayi Protein kinase domain containing protein 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0188 0.3867 0.3917
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0303 0.9872 1
Echinococcus granulosus N chimaerin 0.0188 0.3867 0.3917
Echinococcus granulosus SHC transforming protein 3 0.0188 0.3867 0.3917
Schistosoma mansoni tensin-related 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine kinase 0.0303 0.9872 1
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0188 0.3867 0.3917
Brugia malayi protein-tyrosine kinase 0.0303 0.9872 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0188 0.3867 0.3917
Plasmodium falciparum protein kinase, putative 0.0115 0 0.5
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Plasmodium falciparum tyrosine kinase-like protein 0.0115 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0303 0.9872 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0188 0.3867 0.3917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0303 0.9872 1
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0303 0.9872 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0188 0.3867 0.3917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0305 1 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0115 0 0.5
Echinococcus multilocularis tensin 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0303 0.9872 1
Loa Loa (eye worm) TK protein kinase 0.0303 0.9872 1
Onchocerca volvulus 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine protein kinase Fyn 0.0303 0.9872 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0303 0.9872 1
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Echinococcus granulosus tyrosine protein kinase shark 0.0303 0.9872 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0188 0.3867 0.3917
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0188 0.3867 0.3917
Echinococcus multilocularis SH2 motif 0.0188 0.3867 0.3917
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0188 0.3867 0.3917
Schistosoma mansoni tyrosine kinase 0.0303 0.9872 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0303 0.9872 1
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0188 0.3867 0.3917
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0188 0.3867 0.3917
Echinococcus multilocularis SHC transforming protein 3 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0303 0.9872 1
Brugia malayi Protein kinase domain containing protein 0.0303 0.9872 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Brugia malayi SH2 domain containing protein 0.0303 0.9872 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0188 0.3867 0.3917
Brugia malayi Tyrosine-protein kinase abl-1 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0303 0.9872 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Schistosoma mansoni tensin-related 0.0188 0.3867 0.3917
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0115 0 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0188 0.3867 0.3917
Brugia malayi Tensin 0.0188 0.3867 0.3917
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Trypanosoma cruzi protein kinase, putative 0.0115 0 0.5
Brugia malayi Variant SH3 domain containing protein 0.0188 0.3867 0.3917
Echinococcus granulosus expressed conserved protein 0.0188 0.3867 0.3917
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0115 0 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0188 0.3867 0.3917
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0188 0.3867 0.3867
Echinococcus granulosus hypothetical protein 0.0188 0.3867 0.3917
Schistosoma mansoni hypothetical protein 0.0188 0.3867 0.3917
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0115 0 0.5
Toxoplasma gondii STE kinase 0.0115 0 0.5
Echinococcus granulosus SH2 domain containing protein 7 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Onchocerca volvulus 0.0303 0.9872 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Schistosoma mansoni suppressor of cytokine signaling 0.0188 0.3867 0.3917
Schistosoma mansoni tyrosine kinase 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0303 0.9872 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine kinase 0.0303 0.9872 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0115 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0303 0.9872 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0188 0.3867 0.3917
Echinococcus granulosus suppressor of cytokine signaling 7 0.0188 0.3867 0.3917
Echinococcus granulosus growth factor receptor bound protein 2 0.0188 0.3867 0.3917
Treponema pallidum fructose-bisphosphate aldolase 0.0305 1 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0303 0.9872 1
Schistosoma mansoni tyrosine kinase 0.0303 0.9872 1
Onchocerca volvulus 0.0303 0.9872 1
Trypanosoma brucei AGC/RSK family serine/threonine kinase, putative 0.0115 0 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0303 0.9872 1
Schistosoma mansoni tyrosine kinase 0.0303 0.9872 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0303 0.9872 1
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0115 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0188 0.3867 0.3917
Loa Loa (eye worm) SH2 domain-containing protein 0.0188 0.3867 0.3917
Schistosoma mansoni nck2/grb4 0.0188 0.3867 0.3917
Echinococcus multilocularis SH2 motif 0.0188 0.3867 0.3917
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0188 0.3867 0.3917
Trypanosoma cruzi protein kinase, putative 0.0115 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Plasmodium vivax tyrosine kinase-like protein, putative 0.0115 0 0.5
Echinococcus multilocularis SH2 motif 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine protein kinase Src42A 0.0303 0.9872 1
Brugia malayi Variant SH3 domain containing protein 0.0188 0.3867 0.3917
Brugia malayi SH2 domain containing protein 0.0188 0.3867 0.3917
Toxoplasma gondii protein kinase 0.0115 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Echinococcus multilocularis N chimaerin 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0188 0.3867 0.3917
Brugia malayi Protein kinase domain containing protein 0.0303 0.9872 1
Trypanosoma brucei Flagellum attachment zone protein 20 0.0115 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Onchocerca volvulus 0.0188 0.3867 0.3917
Onchocerca volvulus 0.0303 0.9872 1
Brugia malayi Protein kinase domain containing protein 0.0303 0.9872 1
Loa Loa (eye worm) SRC-1 0.0303 0.9872 1
Brugia malayi hypothetical protein 0.0303 0.9872 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0188 0.3867 0.3917
Schistosoma mansoni GTPase activating protein 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase Srms 0.0303 0.9872 1
Onchocerca volvulus 0.0303 0.9872 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0188 0.3867 0.3917
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Onchocerca volvulus 0.0303 0.9872 1
Brugia malayi hypothetical protein 0.0188 0.3867 0.3917
Loa Loa (eye worm) TK/FER protein kinase 0.0303 0.9872 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0303 0.9872 0.9872
Brugia malayi Sex muscle abnormal protein 5 0.0188 0.3867 0.3917
Plasmodium falciparum tyrosine kinase-like protein 0.0115 0 0.5
Brugia malayi SH2 domain containing protein 0.0303 0.9872 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0188 0.3867 0.3917
Schistosoma mansoni suppressor of cytokine signaling 0.0188 0.3867 0.3917
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0115 0 0.5
Echinococcus granulosus tyrosine kinase 0.0303 0.9872 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.3867 0.3917
Schistosoma mansoni shc transforming protein 0.0188 0.3867 0.3917
Toxoplasma gondii protein kinase domain-containing protein 0.0115 0 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 1 1
Schistosoma mansoni hypothetical protein 0.0188 0.3867 0.3917
Plasmodium vivax protein kinase, putative 0.0115 0 0.5
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0188 0.3867 0.3917
Entamoeba histolytica protein kinase, putative 0.0188 0.3867 0.3867
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0188 0.3867 0.3917
Echinococcus granulosus suppressor of cytokine signaling 6 0.0188 0.3867 0.3917
Schistosoma mansoni tensin 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0303 0.9872 1
Brugia malayi SRC-1 0.0303 0.9872 1
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0188 0.3867 0.3917
Schistosoma mansoni vav2 0.0188 0.3867 0.3917
Echinococcus multilocularis tyrosine protein kinase Abl 0.0303 0.9872 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0188 0.3867 0.3917
Onchocerca volvulus 0.0188 0.3867 0.3917
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0303 0.9872 1
Schistosoma mansoni SH2A 0.0188 0.3867 0.3917
Schistosoma mansoni tyrosine kinase 0.0303 0.9872 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0188 0.3867 0.3917
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0188 0.3867 0.3917
Onchocerca volvulus 0.0188 0.3867 0.3917
Plasmodium falciparum protein kinase, putative 0.0115 0 0.5
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0303 0.9872 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0303 0.9872 1
Trypanosoma brucei protein kinase, putative 0.0115 0 0.5
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0188 0.3867 0.3917
Loa Loa (eye worm) STAT protein 0.0188 0.3867 0.3917

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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