Detailed information for compound 891754

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.501 | Formula: C28H25NO6
  • H donors: 1 H acceptors: 3 LogP: 4.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C1N(Cc2ccccc2)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O
  • InChi: 1S/C28H25NO6/c1-2-33-21-11-8-19(9-12-21)25-24(26(30)20-10-13-22-23(16-20)35-15-14-34-22)27(31)28(32)29(25)17-18-6-4-3-5-7-18/h3-13,16,25,31H,2,14-15,17H2,1H3
  • InChiKey: LDZLOKMZWXBYJM-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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0287 0.683 0.683
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0373 0.9393 0.9393
Trichomonas vaginalis cyclins, putative 0.0394 1 1
Entamoeba histolytica protein kinase , putative 0.0373 0.9393 0.9393
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.032 0.7817 0.7817
Schistosoma mansoni serine/threonine protein kinase 0.0287 0.683 0.683
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0287 0.683 0.683
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.032 0.7817 0.7817
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0373 0.9393 0.9393
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.032 0.7817 0.7817
Plasmodium vivax protein kinase Crk2 0.0287 0.683 0.7271
Brugia malayi flavodoxin family protein 0.0122 0.1968 0.1968
Giardia lamblia Cyclin A 0.0232 0.5203 0.5203
Loa Loa (eye worm) cyclin domain-containing protein 0.0232 0.5203 0.5203
Trichomonas vaginalis cyclins, putative 0.0218 0.4797 0.4797
Brugia malayi FAD binding domain containing protein 0.0198 0.4194 0.4194
Trichomonas vaginalis AGC family protein kinase 0.0373 0.9393 0.9393
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0287 0.683 0.683
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Giardia lamblia Aurora kinase 0.0373 0.9393 0.9393
Leishmania major cytochrome P450 reductase, putative 0.0284 0.674 0.674
Schistosoma mansoni diflavin oxidoreductase 0.0159 0.3045 0.3045
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0287 0.683 0.683
Entamoeba histolytica type A flavoprotein, putative 0.0122 0.1968 0.1968
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.032 0.7817 0.7817
Trypanosoma cruzi cdc2-related kinase 1 0.0287 0.683 0.683
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0122 0.1968 0.1968
Echinococcus granulosus cyclins 0.0232 0.5203 0.5203
Loa Loa (eye worm) FAD binding domain-containing protein 0.032 0.7817 0.7817
Echinococcus granulosus cyclin dependent kinase 0.0287 0.683 0.683
Trichomonas vaginalis cyclin D, putative 0.0232 0.5203 0.5203
Echinococcus granulosus cyclin b3 0.0232 0.5203 0.5203
Trichomonas vaginalis CMGC family protein kinase 0.0287 0.683 0.683
Brugia malayi Protein kinase domain containing protein 0.0287 0.683 0.683
Schistosoma mansoni cyclins 0.0232 0.5203 0.5203
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.032 0.7817 0.7817
Entamoeba histolytica type A flavoprotein, putative 0.0122 0.1968 0.1968
Echinococcus granulosus aurora kinase A 0.0373 0.9393 0.9393
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.032 0.7817 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0373 0.9393 0.9393
Echinococcus granulosus cyclins 0.0232 0.5203 0.5203
Echinococcus granulosus cyclins 0.0232 0.5203 0.5203
Brugia malayi serine/threonine kinase 12 0.0373 0.9393 0.9393
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0287 0.683 0.7271
Echinococcus granulosus NADPH cytochrome P450 reductase 0.032 0.7817 0.7817
Schistosoma mansoni cyclin B 0.0394 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0159 0.3045 0.3242
Loa Loa (eye worm) AUR protein kinase 0.0373 0.9393 0.9393
Giardia lamblia Kinase, CMGC CDK 0.0287 0.683 0.683
Giardia lamblia Hypothetical protein 0.0232 0.5203 0.5203
Trichomonas vaginalis AGC family protein kinase 0.0373 0.9393 0.9393
Trichomonas vaginalis cyclins, putative 0.0394 1 1
Onchocerca volvulus 0.0394 1 1
Treponema pallidum flavodoxin 0.0122 0.1968 0.5
Trypanosoma brucei mitotic cyclin 6 0.0394 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0287 0.683 0.683
Echinococcus multilocularis cyclin dependent kinase 0.0287 0.683 0.683
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0115 0.0115
Trichomonas vaginalis cyclins, putative 0.0232 0.5203 0.5203
Entamoeba histolytica protein kinase, putative 0.0373 0.9393 0.9393
Trichomonas vaginalis cyclin D, putative 0.0232 0.5203 0.5203
Trypanosoma cruzi cytochrome P450 reductase, putative 0.032 0.7817 0.7817
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Schistosoma mansoni serine/threonine protein kinase 0.0287 0.683 0.683
Plasmodium vivax hypothetical protein, conserved 0.0122 0.1968 0.2096
Trypanosoma cruzi CYC2-like cyclin, putative 0.0394 1 1
Echinococcus multilocularis methionine synthase reductase 0.0198 0.4194 0.4194
Plasmodium falciparum serine/threonine protein kinase, putative 0.0373 0.9393 1
Echinococcus multilocularis aurora kinase A 0.0373 0.9393 0.9393
Loa Loa (eye worm) hypothetical protein 0.0279 0.6592 0.6592
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0122 0.1968 0.1968
Trichomonas vaginalis cyclin A, putative 0.0394 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0373 0.9393 0.9393
Loa Loa (eye worm) hypothetical protein 0.032 0.7817 0.7817
Entamoeba histolytica protein kinase, putative 0.0373 0.9393 0.9393
Trypanosoma cruzi cytochrome P450 reductase, putative 0.032 0.7817 0.7817
Trichomonas vaginalis sulfite reductase, putative 0.032 0.7817 0.7817
Brugia malayi Cyclin, N-terminal domain containing protein 0.0394 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0122 0.1968 0.1968
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0287 0.683 0.683
Echinococcus granulosus cyclin B 0.0394 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0287 0.683 0.683
Entamoeba histolytica cyclin family protein 0.0232 0.5203 0.5203
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0198 0.4194 0.4194
Trypanosoma cruzi cyclin 6, putative 0.0394 1 1
Echinococcus multilocularis cyclin b3 0.0232 0.5203 0.5203
Giardia lamblia Nitric oxide synthase, inducible 0.0284 0.674 0.674
Schistosoma mansoni protein kinase 0.0373 0.9393 0.9393
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0122 0.1968 0.1968
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.032 0.7817 0.8323
Giardia lamblia Kinase, CMGC CDK 0.0287 0.683 0.683
Schistosoma mansoni serine/threonine protein kinase 0.0373 0.9393 0.9393
Leishmania major hypothetical protein, conserved 0.0122 0.1968 0.1968
Echinococcus granulosus cyclin dependent kinase 1 0.0287 0.683 0.683
Loa Loa (eye worm) flavodoxin family protein 0.0122 0.1968 0.1968
Echinococcus multilocularis cyclin B3 1 0.0232 0.5203 0.5203
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Leishmania major p450 reductase, putative 0.032 0.7817 0.7817
Brugia malayi FAD binding domain containing protein 0.032 0.7817 0.7817
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.032 0.7817 0.7817
Trypanosoma cruzi cdc2-related kinase 3 0.0287 0.683 0.683
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0284 0.674 0.674
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0122 0.1968 0.2096
Trichomonas vaginalis cyclin B, putative 0.0232 0.5203 0.5203
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0232 0.5203 0.5203
Chlamydia trachomatis sulfite reductase 0.0198 0.4194 0.5
Toxoplasma gondii aurora kinase 0.0373 0.9393 1
Entamoeba histolytica type A flavoprotein, putative 0.0122 0.1968 0.1968
Entamoeba histolytica protein kinase domain containing protein 0.0373 0.9393 0.9393
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0232 0.5203 0.5203
Echinococcus granulosus cyclin dependent kinase 5 0.0287 0.683 0.683
Trichomonas vaginalis cyclin B, putative 0.0394 1 1
Entamoeba histolytica cyclin, putative 0.0394 1 1
Giardia lamblia Hypothetical protein 0.0284 0.674 0.674
Echinococcus granulosus cyclin B3 1 0.0232 0.5203 0.5203
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0373 0.9393 0.9393
Trichomonas vaginalis cyclins, putative 0.0394 1 1
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0287 0.683 0.683
Leishmania major protein kinase, putative 0.0373 0.9393 0.9393
Brugia malayi Cytochrome P450 family protein 0.006 0.0115 0.0115
Plasmodium vivax flavodoxin domain containing protein 0.0284 0.674 0.7176
Entamoeba histolytica cyclin family protein 0.0232 0.5203 0.5203
Echinococcus granulosus cyclins 0.0232 0.5203 0.5203
Trichomonas vaginalis cyclin B, putative 0.0394 1 1
Trichomonas vaginalis AGC family protein kinase 0.0373 0.9393 0.9393
Loa Loa (eye worm) AUR protein kinase 0.0373 0.9393 0.9393
Trichomonas vaginalis CMGC family protein kinase 0.0287 0.683 0.683
Brugia malayi flavodoxin family protein 0.032 0.7817 0.7817
Trichomonas vaginalis cyclin B, putative 0.0394 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.5203 0.5203
Echinococcus multilocularis cyclin B 0.0394 1 1
Trichomonas vaginalis cyclin B, putative 0.0394 1 1
Echinococcus granulosus methionine synthase reductase 0.0198 0.4194 0.4194
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0373 0.9393 1
Trypanosoma cruzi cyclin, putative 0.0394 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0287 0.683 0.683
Loa Loa (eye worm) hypothetical protein 0.0162 0.3142 0.3142
Plasmodium falciparum nitric oxide synthase, putative 0.032 0.7817 0.8323
Schistosoma mansoni NADPH flavin oxidoreductase 0.0161 0.3117 0.3117
Trichomonas vaginalis cyclin B3, putative 0.0232 0.5203 0.5203
Loa Loa (eye worm) AUR protein kinase 0.0373 0.9393 0.9393
Brugia malayi cell division control protein 2 homolog 0.0287 0.683 0.683
Trypanosoma cruzi cdc2-related kinase 3 0.0287 0.683 0.683
Entamoeba histolytica cell division protein kinase 2, putative 0.0287 0.683 0.683
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0122 0.1968 0.1968
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.032 0.7817 0.7817
Trichomonas vaginalis CMGC family protein kinase 0.0287 0.683 0.683
Echinococcus multilocularis cyclin dependent kinase 5 0.0287 0.683 0.683
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.032 0.7817 0.7817
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Plasmodium falciparum cyclin 0.0232 0.5203 0.5539
Echinococcus granulosus cyclins 0.0232 0.5203 0.5203
Schistosoma mansoni cyclin B3 0.0232 0.5203 0.5203
Brugia malayi Cyclin, N-terminal domain containing protein 0.0232 0.5203 0.5203
Brugia malayi serine/threonine protein kinase 6 0.0373 0.9393 0.9393
Trypanosoma cruzi cdc2-related kinase 1 0.0287 0.683 0.683
Trichomonas vaginalis AGC family protein kinase 0.0373 0.9393 0.9393
Giardia lamblia G2/mitotic-specific cyclin B 0.0394 1 1
Trichomonas vaginalis cyclins, putative 0.0394 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0373 0.9393 0.9393
Trypanosoma cruzi cyclin, putative 0.0394 1 1
Trypanosoma brucei aurora B kinase 0.0373 0.9393 0.9393
Toxoplasma gondii hypothetical protein 0.0176 0.3548 0.3777
Entamoeba histolytica cyclin, putative 0.0232 0.5203 0.5203
Echinococcus multilocularis cyclin dependent kinase 1 0.0287 0.683 0.683
Trypanosoma brucei cdc2-related kinase 3 0.0287 0.683 0.683
Plasmodium falciparum protein kinase 5 0.0287 0.683 0.7271
Schistosoma mansoni cytochrome P450 reductase 0.032 0.7817 0.7817
Trypanosoma cruzi p450 reductase, putative 0.032 0.7817 0.7817
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0122 0.1968 0.1968
Leishmania major cyclin 0.0394 1 1
Echinococcus multilocularis cyclins 0.0232 0.5203 0.5203
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0122 0.1968 0.1968
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.032 0.7817 0.7817
Loa Loa (eye worm) FAD binding domain-containing protein 0.0198 0.4194 0.4194
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0122 0.1968 0.2096
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0373 0.9393 0.9393
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0394 1 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0122 0.1968 0.1968
Entamoeba histolytica type A flavoprotein, putative 0.0122 0.1968 0.1968
Toxoplasma gondii flavodoxin domain-containing protein 0.0159 0.3045 0.3242
Entamoeba histolytica type A flavoprotein, putative 0.0122 0.1968 0.1968

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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