Detailed information for compound 1792151

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 496.511 | Formula: C29H24N2O6
  • H donors: 1 H acceptors: 4 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(=O)c(cc2c1cccc2)C1C(=C(N)OC2=C1C(=O)c1c(C2=O)cccc1)C(=O)OC(C)C
  • InChi: 1S/C29H24N2O6/c1-4-13-31-20-12-8-5-9-16(20)14-19(28(31)34)21-22-24(32)17-10-6-7-11-18(17)25(33)26(22)37-27(30)23(21)29(35)36-15(2)3/h4-12,14-15,21H,1,13,30H2,2-3H3
  • InChiKey: YPUHPIIAADDTKL-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
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Mycobacterium ulcerans hypothetical protein 0.0064 0.0112 0.0094
Mycobacterium ulcerans hydrolase MutT1 0.0064 0.0112 0.0094
Loa Loa (eye worm) hypothetical protein 0.0086 0.0169 0.0169
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0064 0.0112 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0109 0.0109
Loa Loa (eye worm) chitinase I 0.0075 0.0138 0.0138
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0106 0.0222 0.0222
Brugia malayi Receptor family ligand binding region containing protein 0.0045 0.0061 0.2419
Plasmodium vivax hypothetical protein, conserved 0.0118 0.0254 1
Loa Loa (eye worm) hypothetical protein 0.3814 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0086 0.0169 0.0169
Mycobacterium tuberculosis Conserved protein 0.0064 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0048 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0127 0.0277 0.0277
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0112 0.0236 0.9311
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.0109 0.009
Echinococcus multilocularis aryl hydrocarbon receptor 0.0128 0.0278 0.0278
Mycobacterium leprae probable isochorismate synthase EntC 0.0064 0.0112 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0086 0.0169 0.0169
Brugia malayi endochitinase 0.0075 0.0138 0.545
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0064 0.0112 0.0133
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3749 0.983 0.9828
Brugia malayi UBASH3A protein homolog 0.0064 0.0112 0.4392
Loa Loa (eye worm) hypothetical protein 0.0045 0.0061 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0112 0.5
Loa Loa (eye worm) glutamate receptor 0.0045 0.0061 0.0061
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Schistosoma mansoni single-minded 0.0059 0.0098 0.0098
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Echinococcus multilocularis tumor protein p63 0.0328 0.0808 0.0808
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3749 0.983 0.9828
Echinococcus granulosus aryl hydrocarbon receptor 0.0128 0.0278 0.0278
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0045 0.0061 0.0061
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1627 0.4234 0.4169
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0029 0.0018 0.0018
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0064 0.0112 0.0112
Echinococcus multilocularis transfer RNA-Lys 0.0044 0.0057 0.0057
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0112 0.0236 0.0236
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0118 0.0253 0.0253
Onchocerca volvulus 0.0118 0.0254 0.0254
Schistosoma mansoni retinoic acid receptor RXR 0.0118 0.0253 0.0253
Mycobacterium leprae conserved hypothetical protein 0.0064 0.0112 0.5
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Onchocerca volvulus 0.3814 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0029 0.0018 0.0018
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0064 0.0112 0.0094
Brugia malayi bHLH-PAS transcription factor 0.0044 0.0057 0.2247
Mycobacterium ulcerans lipoprotein LpqD 0.0064 0.0112 0.0094
Loa Loa (eye worm) hypothetical protein 0.3749 0.983 0.983
Loa Loa (eye worm) hypothetical protein 0.0118 0.0254 0.0254
Brugia malayi endochitinase 0.0084 0.0162 0.6384
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1627 0.4234 0.4169
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.007 0.0125 0.0125
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0064 0.0112 0.0133
Brugia malayi phosphoglycerate mutase family protein 0.0064 0.0112 0.4392
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0118 0.0254 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0118 0.0254 0.0254
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0064 0.0112 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0035 0.0034 0.0034
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0064 0.0112 0.5
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0064 0.0112 1
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.0109 0.009
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium leprae conserved hypothetical protein 0.0064 0.0112 0.5
Mycobacterium ulcerans hypothetical protein 0.2251 0.5878 1
Loa Loa (eye worm) glutamate receptor 0.007 0.0125 0.0125
Loa Loa (eye worm) phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.0112 1
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0064 0.0112 0.0112
Echinococcus granulosus single minded 2 0.0044 0.0057 0.0057
Loa Loa (eye worm) microfilarial chitinase 0.0073 0.0133 0.0133
Schistosoma mansoni 6-phosphofructokinase 0.3814 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Onchocerca volvulus Putative endochitinase 0.0084 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3814 1 1
Onchocerca volvulus 0.0044 0.0058 0.0058
Mycobacterium leprae conserved hypothetical protein 0.0064 0.0112 0.5
Schistosoma mansoni phosphoglycerate mutase 0.0064 0.0112 0.0112
Onchocerca volvulus Putative endochitinase 0.0084 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Brugia malayi metabotropic glutamate receptor type 2 0.0086 0.0169 0.6668
Loa Loa (eye worm) hypothetical protein 0.2186 0.5708 0.5708
Mycobacterium ulcerans phosphoglyceromutase 0.0064 0.0112 0.0094
Plasmodium falciparum conserved protein, unknown function 0.0118 0.0254 1
Loa Loa (eye worm) cuticular endochitinase 0.0075 0.0138 0.0138
Giardia lamblia Hypothetical protein 0.2251 0.5878 0.5
Schistosoma mansoni hypothetical protein 0.0118 0.0254 0.0254
Brugia malayi phosphoglycerate mutase family protein 0.0064 0.0112 0.4392
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0064 0.0112 1
Giardia lamblia Hypothetical protein 0.2251 0.5878 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0018 0.0018
Mycobacterium tuberculosis Conserved protein 0.0064 0.0112 1
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Onchocerca volvulus 0.0127 0.0277 0.0277
Onchocerca volvulus 0.0064 0.0112 0.0112
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0064 0.0112 1
Mycobacterium ulcerans phosphoglycerate mutase 0.0064 0.0112 0.0094
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1627 0.4234 0.4169
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0064 0.0112 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3749 0.983 0.9828
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0064 0.0112 1
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0064 0.0112 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Onchocerca volvulus 0.0064 0.0112 0.0112
Echinococcus granulosus metabotropic glutamate receptor 5 0.0086 0.0169 0.0169
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0064 0.0112 1
Treponema pallidum phosphoglyceromutase 0.0064 0.0112 0.5
Onchocerca volvulus 0.0064 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0068 0.0068
Mycobacterium ulcerans acid phosphatase 0.0064 0.0112 0.0094
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0118 0.0254 0.0254
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Onchocerca volvulus Putative endochitinase 0.0075 0.0138 0.0138
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1627 0.4234 0.4169
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0064 0.0112 0.5
Echinococcus multilocularis GPCR, family 3, C terminal 0.0029 0.0018 0.0018
Onchocerca volvulus 0.0118 0.0254 0.0254
Mycobacterium ulcerans phosphoglycerate mutase 0.0064 0.0112 0.0094
Loa Loa (eye worm) hypothetical protein 0.0118 0.0254 0.0254
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.013 0.013
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0029 0.0018 0.069
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0112 0.5
Onchocerca volvulus 0.0048 0.0068 0.0068
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.2251 0.5878 1
Onchocerca volvulus Putative endochitinase 0.0084 0.0162 0.0162
Mycobacterium ulcerans hypothetical protein 0.0064 0.0112 0.0094
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Schistosoma mansoni phosphoglycerate mutase 0.0064 0.0112 0.0112
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3749 0.983 0.9828
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium leprae Possible phosphoglycerate mutase 0.0064 0.0112 0.5
Echinococcus granulosus GPCR family 3 C terminal 0.0029 0.0018 0.0018
Brugia malayi Endochitinase 0.0084 0.0162 0.6384
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.013 0.013
Brugia malayi hypothetical protein 0.0035 0.0034 0.1336
Entamoeba histolytica chitinase, putative 0.0075 0.0138 0.0179
Brugia malayi PAS domain containing protein 0.0059 0.0098 0.3842
Onchocerca volvulus Poor gastrulation protein homolog 0.0029 0.0018 0.0018
Leishmania major chitinase 0.0075 0.0138 0.0027
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0045 0.0061 0.0061
Schistosoma mansoni aryl hydrocarbon receptor 0.0171 0.0394 0.0394
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.2251 0.5878 1
Onchocerca volvulus Putative endochitinase 0.0075 0.0138 0.0138
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0064 0.0112 0.0133
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Toxoplasma gondii hypothetical protein 0.0118 0.0254 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0029 0.0018 0.069
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0112 0.0238 0.0238
Brugia malayi Metabotropic glutamate receptor precursor. 0.0045 0.0061 0.2419
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0064 0.0112 0.0112
Echinococcus granulosus tumor protein p63 0.0328 0.0808 0.0808
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0064 0.0112 0.0094

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 200 ug ml-1 Antibacterial activity against Escherichia coli MTCC 443 assessed as growth inhibition after 24 to 48 hr by NCCLS broth microdilution method ChEMBL. No reference
MIC (functional) = 500 ug ml-1 Antifungal activity against Candida albicans MTCC 227 assessed as growth inhibition after 24 to 48 hr by NCCLS broth microdilution method ChEMBL. No reference

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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