Detailed information for compound 1072666

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.212 | Formula: C18H14BrNO4
  • H donors: 0 H acceptors: 2 LogP: 4.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc2c1c(ccn2)OC(=O)c1ccccc1Br
  • InChi: 1S/C18H14BrNO4/c1-22-11-9-14-17(16(10-11)23-2)15(7-8-20-14)24-18(21)12-5-3-4-6-13(12)19/h3-10H,1-2H3
  • InChiKey: OEQFWFMGQWFYTO-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
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0895 0.1994 0.426
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.5
Schistosoma mansoni lamin 0.0143 0.021 0.045
Echinococcus granulosus lamin dm0 0.0143 0.021 0.0442
Brugia malayi Steroid receptor seven-up type 2 0.0132 0.0185 0.0388
Schistosoma mansoni hypothetical protein 0.0256 0.0479 0.1025
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0004 0.0008
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.2025 0.4676 1
Loa Loa (eye worm) hypothetical protein 0.0519 0.1102 0.2358
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.0132 0.0273
Brugia malayi hypothetical protein 0.1256 0.2851 0.6095
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.5
Onchocerca volvulus Huntingtin homolog 0.0519 0.1102 0.5528
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0112 0.0231
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.0318 0.0314
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.2025 0.4676 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0069 0.0035 0.0067
Loa Loa (eye worm) hypothetical protein 0.0519 0.1102 0.2358
Onchocerca volvulus 0.0143 0.021 0.1055
Echinococcus multilocularis geminin 0.0176 0.029 0.0286
Loa Loa (eye worm) IMP dehydrogenase 1 0.2025 0.4676 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.2025 0.4676 1
Schistosoma mansoni hypothetical protein 0.0069 0.0036 0.0077
Loa Loa (eye worm) GMP reductase 0.0895 0.1994 0.4265
Leishmania major guanosine monophosphate reductase 0.2025 0.4676 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0004 0.5
Echinococcus multilocularis lamin dm0 0.0143 0.021 0.0207
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.2025 0.4676 0.4674
Schistosoma mansoni alpha-glucosidase 0.0162 0.0256 0.0547
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.2025 0.4676 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.2025 0.4676 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0204 0.0437
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0004 0.5
Brugia malayi GMP reductase 0.0895 0.1994 0.426
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.5
Echinococcus granulosus lamin 0.0143 0.021 0.0442
Schistosoma mansoni alpha-glucosidase 0.0162 0.0256 0.0547
Echinococcus granulosus lysosomal alpha glucosidase 0.0188 0.0318 0.0673
Echinococcus granulosus survival motor neuron protein 1 0.1256 0.2851 0.6095
Loa Loa (eye worm) hypothetical protein 0.0069 0.0036 0.0077
Toxoplasma gondii IMP dehydrogenas 0.2025 0.4676 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.2025 0.4676 1
Schistosoma mansoni hypothetical protein 0.0176 0.029 0.062
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0069 0.0035 0.0031
Echinococcus granulosus geminin 0.0176 0.029 0.0613
Loa Loa (eye worm) hypothetical protein 0.0101 0.0112 0.0239
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.113 0.2553 0.2085
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.2025 0.4676 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0112 0.0231
Loa Loa (eye worm) hypothetical protein 0.0066 0.0029 0.0062
Trypanosoma brucei GMP reductase 0.2025 0.4676 1
Loa Loa (eye worm) nuclear hormone receptor 0.0114 0.0143 0.0305
Echinococcus multilocularis tumor protein p63 0.037 0.0749 0.0745
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0199 0.0425
Onchocerca volvulus 0.0109 0.013 0.0651
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.2025 0.4676 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0147 0.0315
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0188 0.0318 0.068
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.2025 0.4676 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0004 0.5
Brugia malayi hypothetical protein 0.0519 0.1102 0.2351
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0143 0.021 0.045
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0132 0.0185 0.0388
Trypanosoma cruzi GMP reductase 0.2025 0.4676 1
Trypanosoma cruzi GMP reductase 0.2025 0.4676 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.113 0.2553 0.4955
Onchocerca volvulus 0.0256 0.0479 0.2404
Echinococcus granulosus tumor protein p63 0.037 0.0749 0.1594
Schistosoma mansoni hypothetical protein 0.0176 0.029 0.062
Schistosoma mansoni transcription factor LCR-F1 0.011 0.0132 0.0281
Onchocerca volvulus 0.0143 0.021 0.1055
Echinococcus multilocularis musashi 0.0143 0.021 0.0207
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.0318 0.0314
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.2025 0.4676 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.2025 0.4676 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0188 0.0318 0.0673
Schistosoma mansoni intermediate filament proteins 0.0143 0.021 0.045
Echinococcus multilocularis survival motor neuron protein 1 0.1256 0.2851 0.2849
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0004 0.5
Brugia malayi intermediate filament protein 0.0143 0.021 0.0442
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.2025 0.4676 1
Schistosoma mansoni lamin 0.0143 0.021 0.045
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0256 0.0479 0.1018
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0076 0.0053 0.0114
Loa Loa (eye worm) hypothetical protein 0.0143 0.021 0.045
Echinococcus multilocularis lamin 0.0143 0.021 0.0207
Entamoeba histolytica hypothetical protein 0.011 0.0132 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.2025 0.4676 1
Schistosoma mansoni hypothetical protein 0.011 0.0132 0.0281
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0112 0.0239
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.2025 0.4676 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0029 0.0062
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.0132 0.0128
Onchocerca volvulus Huntingtin homolog 0.0519 0.1102 0.5528
Brugia malayi Intermediate filament tail domain containing protein 0.0143 0.021 0.0442
Echinococcus granulosus intermediate filament protein 0.0143 0.021 0.0442
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0895 0.1994 0.426
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0132 0.0185 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0004 0.0008
Loa Loa (eye worm) hypothetical protein 0.0069 0.0035 0.0075
Brugia malayi cytoplasmic intermediate filament protein 0.0076 0.0053 0.0105
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.2025 0.4676 0.5
Loa Loa (eye worm) hypothetical protein 0.1256 0.2851 0.6098
Schistosoma mansoni survival motor neuron protein 0.0256 0.0479 0.1025
Brugia malayi MH2 domain containing protein 0.0138 0.0199 0.0417
Loa Loa (eye worm) intermediate filament protein 0.0143 0.021 0.045
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0199 0.0425
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0036 0.0069
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0004 0.5
Brugia malayi hypothetical protein 0.011 0.0132 0.0273
Onchocerca volvulus Putative GMP reductase 0.0895 0.1994 1

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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