Detailed information for compound 1792152

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 510.537 | Formula: C30H26N2O6
  • H donors: 1 H acceptors: 4 LogP: 4.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCn1c(=O)c(cc2c1ccc(c2)C)C1C(=C(N)OC2=C1C(=O)c1c(C2=O)cccc1)C(=O)OC(C)C
  • InChi: 1S/C30H26N2O6/c1-5-12-32-21-11-10-16(4)13-17(21)14-20(29(32)35)22-23-25(33)18-8-6-7-9-19(18)26(34)27(23)38-28(31)24(22)30(36)37-15(2)3/h5-11,13-15,22H,1,12,31H2,2-4H3
  • InChiKey: JPKAZMZSDPMTOB-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
Onchocerca volvulus Putative endochitinase 0.0084 0.0162 0.0162
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.2251 0.5878 1
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Echinococcus multilocularis 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
Schistosoma mansoni phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium ulcerans hypothetical protein 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
Mycobacterium ulcerans phosphoglycerate mutase 0.0064 0.0112 0.0094
Onchocerca volvulus 0.0118 0.0254 0.0254
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
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1627 0.4234 0.4169
Onchocerca volvulus 0.0048 0.0068 0.0068
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0112 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 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
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0029 0.0018 0.069
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0064 0.0112 0.0094
Echinococcus granulosus tumor protein p63 0.0328 0.0808 0.0808
Brugia malayi PAS domain containing protein 0.0059 0.0098 0.3842
Entamoeba histolytica chitinase, putative 0.0075 0.0138 0.0179
Brugia malayi hypothetical protein 0.0035 0.0034 0.1336
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.013 0.013
Brugia malayi Endochitinase 0.0084 0.0162 0.6384
Echinococcus granulosus GPCR family 3 C terminal 0.0029 0.0018 0.0018
Mycobacterium leprae Possible phosphoglycerate mutase 0.0064 0.0112 0.5
Toxoplasma gondii hypothetical protein 0.0118 0.0254 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.2251 0.5878 1
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0064 0.0112 0.0133
Onchocerca volvulus Putative endochitinase 0.0075 0.0138 0.0138
Schistosoma mansoni aryl hydrocarbon receptor 0.0171 0.0394 0.0394
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0045 0.0061 0.0061
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) hypothetical protein 0.0029 0.0018 0.0018
Giardia lamblia Hypothetical protein 0.2251 0.5878 0.5
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0064 0.0112 1
Brugia malayi phosphoglycerate mutase family protein 0.0064 0.0112 0.4392
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1627 0.4234 0.4169
Mycobacterium ulcerans phosphoglycerate mutase 0.0064 0.0112 0.0094
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0064 0.0112 1
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Onchocerca volvulus 0.0127 0.0277 0.0277
Onchocerca volvulus 0.0064 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Conserved protein 0.0064 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.2186 0.5708 0.5708
Brugia malayi metabotropic glutamate receptor type 2 0.0086 0.0169 0.6668
Onchocerca volvulus Putative endochitinase 0.0084 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Schistosoma mansoni phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium leprae conserved hypothetical protein 0.0064 0.0112 0.5
Schistosoma mansoni hypothetical protein 0.0118 0.0254 0.0254
Giardia lamblia Hypothetical protein 0.2251 0.5878 0.5
Loa Loa (eye worm) cuticular endochitinase 0.0075 0.0138 0.0138
Plasmodium falciparum conserved protein, unknown function 0.0118 0.0254 1
Mycobacterium ulcerans phosphoglyceromutase 0.0064 0.0112 0.0094
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Onchocerca volvulus 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0064 0.0112 1
Treponema pallidum phosphoglyceromutase 0.0064 0.0112 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0086 0.0169 0.0169
Onchocerca volvulus Putative endochitinase 0.0075 0.0138 0.0138
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0118 0.0254 0.0254
Mycobacterium ulcerans acid phosphatase 0.0064 0.0112 0.0094
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0034 0.0034
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3749 0.983 0.9828
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0064 0.0112 1
Onchocerca volvulus 0.0064 0.0112 0.0112
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0064 0.0112 0.5
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0064 0.0112 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Onchocerca volvulus 0.3814 1 1
Mycobacterium leprae conserved hypothetical protein 0.0064 0.0112 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0118 0.0253 0.0253
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1627 0.4234 0.4169
Loa Loa (eye worm) hypothetical protein 0.0118 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.3749 0.983 0.983
Mycobacterium ulcerans lipoprotein LpqD 0.0064 0.0112 0.0094
Brugia malayi endochitinase 0.0084 0.0162 0.6384
Brugia malayi bHLH-PAS transcription factor 0.0044 0.0057 0.2247
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0064 0.0112 0.0094
Schistosoma mansoni hypothetical protein 0.0029 0.0018 0.0018
Echinococcus multilocularis transfer RNA-Lys 0.0044 0.0057 0.0057
Onchocerca volvulus 0.0118 0.0254 0.0254
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0118 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0112 0.0236 0.0236
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Echinococcus granulosus single minded 2 0.0044 0.0057 0.0057
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0064 0.0112 0.0112
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.0112 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 leprae conserved hypothetical protein 0.0064 0.0112 0.5
Mycobacterium ulcerans hypothetical protein 0.2251 0.5878 1
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Onchocerca volvulus 0.0044 0.0058 0.0058
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3814 1 1
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0064 0.0112 0.0112
Onchocerca volvulus Putative endochitinase 0.0084 0.0162 0.0162
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Schistosoma mansoni 6-phosphofructokinase 0.3814 1 1
Loa Loa (eye worm) microfilarial chitinase 0.0073 0.0133 0.0133
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0118 0.0254 0.0254
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0118 0.0254 1
Brugia malayi phosphoglycerate mutase family protein 0.0064 0.0112 0.4392
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0064 0.0112 0.0133
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.007 0.0125 0.0125
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 1
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Echinococcus multilocularis phosphoglycerate mutase 0.0064 0.0112 0.0112
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.0109 0.009
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0064 0.0112 1
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0064 0.0112 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0034 0.0034
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
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.0109 0.009
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0112 0.0236 0.9311
Loa Loa (eye worm) hypothetical protein 0.0127 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0064 0.0112 0.0112
Mycobacterium leprae probable isochorismate synthase EntC 0.0064 0.0112 0.5
Echinococcus multilocularis aryl hydrocarbon receptor 0.0128 0.0278 0.0278
Plasmodium vivax hypothetical protein, conserved 0.0118 0.0254 1
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
Loa Loa (eye worm) chitinase I 0.0075 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0064 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0086 0.0169 0.0169
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0064 0.0112 0.5
Mycobacterium ulcerans hypothetical protein 0.0064 0.0112 0.0094
Mycobacterium ulcerans hydrolase MutT1 0.0064 0.0112 0.0094
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3814 1 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
Mycobacterium tuberculosis Conserved protein 0.0064 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.3814 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0086 0.0169 0.0169
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0045 0.0061 0.0061
Echinococcus granulosus aryl hydrocarbon receptor 0.0128 0.0278 0.0278
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3749 0.983 0.9828
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0064 0.0112 0.0112
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0029 0.0018 0.0018
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1627 0.4234 0.4169
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3749 0.983 0.9828
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0064 0.0112 0.0133
Brugia malayi endochitinase 0.0075 0.0138 0.545
Schistosoma mansoni metabotropic glutamate receptor 0.0086 0.0169 0.0169
Echinococcus multilocularis tumor protein p63 0.0328 0.0808 0.0808
Onchocerca volvulus Protein UBASH3A homolog 0.0064 0.0112 0.0112
Schistosoma mansoni single-minded 0.0059 0.0098 0.0098
Echinococcus granulosus phosphoglycerate mutase 0.0064 0.0112 0.0112
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0064 0.0112 0.5
Loa Loa (eye worm) glutamate receptor 0.0045 0.0061 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0112 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0061 0.0061
Brugia malayi UBASH3A protein homolog 0.0064 0.0112 0.4392

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 25 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) > 1000 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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