Detailed information for compound 1748564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.558 | Formula: C29H30N2O6
  • H donors: 0 H acceptors: 2 LogP: 4.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1N1CCN(CC1)CC(OC(=O)C)COc1cccc2c1oc1ccccc1c2=O
  • InChi: 1S/C29H30N2O6/c1-20(32)36-21(18-30-14-16-31(17-15-30)24-10-4-6-12-26(24)34-2)19-35-27-13-7-9-23-28(33)22-8-3-5-11-25(22)37-29(23)27/h3-13,21H,14-19H2,1-2H3
  • InChiKey: ZWWAYOKUFBISCW-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
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0045 0.1553 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.103 0.0984
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0467 0.0414
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0045 0.1553 0.5
Schistosoma mansoni hypothetical protein 0.0011 0.0205 0.0927
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0258 0.9931 1
Brugia malayi histone deacetylase 11 0.0018 0.0467 0.0414
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0045 0.1553 0.5
Giardia lamblia Histone deacetylase 0.0062 0.2211 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0058 0.0264
Loa Loa (eye worm) hypothetical protein 0.0067 0.2425 0.2397
Echinococcus granulosus histone deacetylase 6 0.0018 0.0467 0.0412
Schistosoma mansoni cytochrome P450 0.0045 0.1553 0.7022
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0045 0.1553 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0045 0.1553 0.5
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0045 0.1553 0.3369
Loa Loa (eye worm) hypothetical protein 0.0062 0.2211 0.2181
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0191 0.0135
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0467 0.2114
Brugia malayi Histone deacetylase family protein 0.0018 0.0467 0.0414
Leishmania major histone deacetylase, putative 0.0018 0.0467 0.0656
Echinococcus granulosus histone deacetylase 8 0.0018 0.0467 0.0412
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2211 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0058 0.0264
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0113 0.4206 1
Echinococcus multilocularis histone deacetylase 1 0.0062 0.2211 0.2181
Schistosoma mansoni histone deacetylase 0.0062 0.2211 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2211 1
Trypanosoma cruzi cytochrome P450, putative 0.0113 0.4206 1
Loa Loa (eye worm) histone deacetylase 7A 0.0018 0.0467 0.0414
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0045 0.1553 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0205 0.0682
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0058 0.0264
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2211 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1126 0.4958
Schistosoma mansoni histone deacetylase 1 2 3 0.0018 0.0467 0.2114
Echinococcus granulosus histone deacetylase 6 0.0018 0.0467 0.0412
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0191 0.0134
Brugia malayi Cytochrome P450 family protein 0.0105 0.3892 0.3883
Echinococcus multilocularis GTP binding protein Parf 0.0011 0.0205 0.0149
Loa Loa (eye worm) cytochrome P450 family protein 0.0113 0.4206 0.4201
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0045 0.1553 0.5
Schistosoma mansoni voltage-gated potassium channel 0.004 0.1354 0.6125
Echinococcus granulosus cytochrome P450 2K1 0.0045 0.1553 0.1503
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0045 0.1553 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.2211 0.2181
Loa Loa (eye worm) hypothetical protein 0.0011 0.0205 0.0149
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.2211 0.2181
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0045 0.1553 0.3369
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0058 0.0264
Loa Loa (eye worm) hypothetical protein 0.0018 0.0467 0.0414
Trypanosoma brucei cytochrome P450, putative 0.0113 0.4206 1
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.2211 0.2181
Plasmodium vivax histone deacetylase 2, putative 0.0018 0.0467 0.1308
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0258 0.9931 1
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0467 0.0656
Plasmodium vivax histone deacetylase 1, putative 0.0062 0.2211 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2211 1
Loa Loa (eye worm) histone deacetylase 11 0.0018 0.0467 0.0414
Leishmania major histone deacetylase, putative 0.0062 0.2211 0.5015
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0467 0.0656
Brugia malayi Histone deacetylase family protein 0.0018 0.0467 0.0414
Echinococcus multilocularis rab protein 3 0.0011 0.0205 0.0149
Plasmodium falciparum histone deacetylase 2 0.0018 0.0467 0.1308
Trypanosoma brucei histone deacetylase, putative 0.0018 0.0467 0.0656
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0467 0.0656
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2211 1
Echinococcus granulosus histone deacetylase 7 0.0018 0.0467 0.0412
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.2211 0.2181
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0191 0.0866
Schistosoma mansoni histone deacetylase 0.0062 0.2211 1
Leishmania major histone deacetylase, putative 0.0018 0.0467 0.0656
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0191 0.0135
Plasmodium falciparum histone deacetylase, putative 0.0018 0.0467 0.1308
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0045 0.1553 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0045 0.1553 0.5
Schistosoma mansoni hypothetical protein 0.0045 0.1553 0.7022
Plasmodium vivax histone deacetylase, putative 0.0018 0.0467 0.1308
Loa Loa (eye worm) hypothetical protein 0.0011 0.0205 0.0149
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0467 0.0656
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0467 0.0656
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2211 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.1221 0.1178
Mycobacterium leprae putative cytochrome p450 0.0045 0.1553 0.5
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0467 0.0414
Echinococcus granulosus histone deacetylase 3 0.0062 0.2211 0.2166
Loa Loa (eye worm) cytochrome P450 0.0045 0.1553 0.1514
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2211 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0045 0.1553 0.5
Brugia malayi Cytochrome P450 family protein 0.0113 0.4206 0.4201
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0045 0.1553 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0467 0.2114
Brugia malayi cytochrome P450 0.0045 0.1553 0.1514
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.2211 1
Echinococcus multilocularis histone deacetylase 0.0018 0.0467 0.0414
Echinococcus granulosus histone deacetylase 6 0.0018 0.0467 0.0412
Loa Loa (eye worm) cytochrome P450 family protein 0.0113 0.4206 0.4201
Loa Loa (eye worm) hypothetical protein 0.0011 0.0191 0.0135
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0045 0.1553 0.5
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0191 0.0134
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0467 0.2114
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.2211 0.5015
Echinococcus granulosus histone deacetylase 1 0.0062 0.2211 0.2166
Brugia malayi Histone deacetylase 1 0.0062 0.2211 0.2181
Entamoeba histolytica histone deacetylase, putative 0.0062 0.2211 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.1221 0.1178
Mycobacterium leprae Conserved hypothetical protein 0.0045 0.1553 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0045 0.1553 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0191 0.0866
Plasmodium falciparum histone deacetylase 1 0.0062 0.2211 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0191 0.0135
Onchocerca volvulus Histone deacetylase 10 homolog 0.0018 0.0467 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0105 0.3892 0.3883
Brugia malayi hypothetical protein 0.0011 0.0205 0.0149
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0045 0.1553 0.5
Brugia malayi Protein kinase domain containing protein 0.0258 0.9931 1
Echinococcus granulosus GTP binding protein Parf 0.0011 0.0205 0.0148
Leishmania major cytochrome p450-like protein 0.0045 0.1553 0.3369
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.1221 0.117
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0058 0.0264
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0045 0.1553 0.3369
Leishmania major cytochrome p450-like protein 0.0113 0.4206 1
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.2211 1
Echinococcus granulosus rab protein 3 0.0011 0.0205 0.0148
Echinococcus multilocularis histone deacetylase 7 0.0018 0.0467 0.0414
Echinococcus multilocularis 0.0045 0.1553 0.1514
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0045 0.1553 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0045 0.1553 0.3369
Brugia malayi RAB, member of RAS oncogene family-like 5 0.0011 0.0205 0.0149
Trypanosoma brucei histone deacetylase 3 0.0018 0.0467 0.0656
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.2211 1
Brugia malayi Cytochrome P450 family protein 0.0045 0.1553 0.1514
Trypanosoma brucei histone deacetylase 2 0.0018 0.0467 0.0656
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.2211 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0058 0.0264
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0467 0.2114
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0045 0.1553 0.5
Schistosoma mansoni voltage-gated potassium channel 0.004 0.1354 0.6125
Plasmodium vivax histone deacetylase, putative 0.0018 0.0467 0.1308
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0467 0.0414
Loa Loa (eye worm) hypothetical protein 0.0011 0.0205 0.0149
Brugia malayi Ras-related protein ypt4 0.0011 0.0205 0.0149
Echinococcus multilocularis histone deacetylase 8 0.0018 0.0467 0.0414
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0045 0.1553 0.5
Echinococcus multilocularis ras-related protein rab-5 0.0011 0.0205 0.0149
Trypanosoma cruzi cytochrome P450, putative 0.0113 0.4206 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1126 0.4958
Echinococcus multilocularis histone deacetylase 3 0.0062 0.2211 0.2181
Trichomonas vaginalis GTP binding protein rare7l, putative 0.0011 0.0205 0.0682
Trichomonas vaginalis hypothetical protein 0.0011 0.0205 0.0682
Echinococcus granulosus histone deacetylase 0.0018 0.0467 0.0412
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0045 0.1553 0.5
Loa Loa (eye worm) CYP4Cod1 0.0113 0.4206 0.4201
Trypanosoma brucei histone deacetylase 1 0.0062 0.2211 0.5015
Brugia malayi Cytochrome P450 family protein 0.0113 0.4206 0.4201
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.1221 0.1178
Toxoplasma gondii cytochrome p450 superfamily protein 0.0045 0.1553 0.6223
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0045 0.1553 0.3369
Loa Loa (eye worm) histone deacetylase 0.0018 0.0467 0.0414
Leishmania major histone deacetylase, putative 0.0062 0.2211 0.5015
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0045 0.1553 0.5
Trypanosoma brucei histone deacetylase 4 0.0018 0.0467 0.0656
Leishmania major cytochrome p450-like protein 0.0045 0.1553 0.3369
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.2211 0.5015

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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