Detailed information for compound 105878

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 526.583 | Formula: C30H30N4O5
  • H donors: 4 H acceptors: 5 LogP: 3.22 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CC(C(=O)N[C@@H](C(=O)N(Cc1ccccc1)C)Cc1ccccc1)NC(=O)c1c[nH]c2c1cccc2
  • InChi: 1S/C30H30N4O5/c1-34(19-21-12-6-3-7-13-21)30(39)26(16-20-10-4-2-5-11-20)33-29(38)25(17-27(35)36)32-28(37)23-18-31-24-15-9-8-14-22(23)24/h2-15,18,25-26,31H,16-17,19H2,1H3,(H,32,37)(H,33,38)(H,35,36)/t25?,26-/m1/s1
  • InChiKey: IWJBUWXMLZSQJS-FXDYGKIASA-N  

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) trehalase 0.0265 0.0805 0.0789
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Brugia malayi Glycosyl hydrolases family 31 protein 0.0523 0.1974 0.1974
Brugia malayi Trehalase protein 5 0.0092 0.0018 0.0018
Echinococcus multilocularis Glycosyl transferase, family 35 0.0639 0.2503 0.2476
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0368 0.1269 0.1239
Trichomonas vaginalis maltase-glucoamylase, putative 0.0523 0.1974 0.4886
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.028 0.087 0.4305
Loa Loa (eye worm) hypothetical protein 0.0096 0.0035 0.0017
Brugia malayi manba-prov protein 0.0236 0.0673 0.0673
Trichomonas vaginalis conserved hypothetical protein 0.0265 0.0805 0.1684
Mycobacterium ulcerans alpha-mannosidase 0.0206 0.0537 0.0387
Brugia malayi trehalase I 0.0092 0.0018 0.0018
Schistosoma mansoni glycogen phosphorylase 0.0639 0.2503 0.2785
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.028 0.087 0.1019
Trichomonas vaginalis alpha-glucosidase, putative 0.028 0.087 0.1861
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.0781 0.1617
Trypanosoma brucei glycosyl hydrolase-like protein 0.028 0.087 0.4305
Echinococcus granulosus fucosidase alpha L 1 tissue 0.1671 0.7188 0.7178
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.026 0.0781 0.0781
Schistosoma mansoni hypothetical protein 0.0504 0.1888 0.2091
Schistosoma mansoni hypothetical protein 0.0122 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0265 0.0805 0.0789
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.0781 0.1617
Schistosoma mansoni bile acid beta-glucosidase-related 0.0209 0.0552 0.0583
Onchocerca volvulus 0.0265 0.0805 0.094
Loa Loa (eye worm) hypothetical protein 0.057 0.219 0.2176
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.0153 0.0118
Echinococcus granulosus lysosomal alpha glucosidase 0.229 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.0781 0.1617
Entamoeba histolytica glycogenphosphorylase, putative 0.0276 0.0855 0.2625
Trichomonas vaginalis glycoside hydrolase, putative 0.0483 0.1793 0.439
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0392 0.138 0.3258
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0392 0.138 0.3258
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0523 0.1974 0.4886
Loa Loa (eye worm) hypothetical protein 0.0265 0.0805 0.0789
Loa Loa (eye worm) hypothetical protein 0.028 0.087 0.0854
Schistosoma mansoni alpha-amylase 0.0147 0.0269 0.0264
Echinococcus multilocularis bile acid beta glucosidase 0.0209 0.0552 0.0518
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.1974 0.4886
Brugia malayi Glycosyl hydrolases family 31 protein 0.028 0.087 0.087
Trypanosoma cruzi inosine-adenosine-guanosine-nucleosidehydrolase, putative 0.0425 0.1532 0.7722
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0276 0.0855 1
Loa Loa (eye worm) hypothetical protein 0.057 0.219 0.2176
Onchocerca volvulus 0.023 0.0647 0.0747
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.028 0.087 0.269
Echinococcus multilocularis thyroid hormone receptor alpha 0.0131 0.0197 0.0163
Brugia malayi lysosomal alpha-mannosidase 0.0096 0.0035 0.0035
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0511 0.1921 0.474
Chlamydia trachomatis glycogen phosphorylase 0.0639 0.2503 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0417 0.0619
Leishmania major alpha glucosidase II subunit, putative 0.0523 0.1974 1
Entamoeba histolytica beta-galactosidase, putative 0.0226 0.0626 0.1596
Trypanosoma cruzi inosine-adenosine-guanosine-nucleosidehydrolase, putative 0.0425 0.1532 0.7722
Trichomonas vaginalis alpha-glucosidase, putative 0.028 0.087 0.1861
Plasmodium vivax hypothetical protein, conserved 0.0174 0.0392 0.5
Brugia malayi Trehalase family protein 0.0092 0.0018 0.0018
Loa Loa (eye worm) alpha amylase 0.0147 0.0269 0.0252
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0392 0.138 0.138
Schistosoma mansoni alpha-glucosidase 0.2047 0.8896 1
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.0375 0.0415
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.1671 0.7188 0.7178
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0368 0.1269 0.1393
Brugia malayi Trehalase family protein 0.0265 0.0805 0.0805
Trypanosoma cruzi hypothetical protein, conserved 0.0523 0.1974 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0139 0.0233 0.0117
Schistosoma mansoni beta-galactosidase 0.057 0.219 0.2432
Loa Loa (eye worm) hypothetical protein 0.0096 0.0035 0.0017
Schistosoma mansoni alpha glucosidase 0.0523 0.1974 0.2189
Brugia malayi carbohydrate phosphorylase 0.0639 0.2503 0.2503
Echinococcus multilocularis lysosomal alpha glucosidase 0.229 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.052 0.0503
Brugia malayi hypothetical protein 0.0092 0.0018 0.0018
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0523 0.1974 0.196
Loa Loa (eye worm) hypothetical protein 0.0265 0.0805 0.0789
Schistosoma mansoni alpha-amylase 0.0147 0.0269 0.0264
Loa Loa (eye worm) hypothetical protein 0.0265 0.0805 0.0789
Loa Loa (eye worm) hypothetical protein 0.0299 0.0958 0.0942
Brugia malayi Trehalase family protein 0.0092 0.0018 0.0018
Treponema pallidum hypothetical protein 0.0092 0.0018 0.5
Onchocerca volvulus 0.0265 0.0805 0.094
Brugia malayi follicle stimulating hormone receptor 0.0228 0.0634 0.0634
Trypanosoma brucei glucosidase, putative 0.0523 0.1974 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0639 0.2503 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.229 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0639 0.2503 1
Echinococcus multilocularis alpha glucosidase 0.0147 0.0269 0.0235
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Trichomonas vaginalis beta-glucosidase, putative 0.0934 0.3841 1
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0173 0.0384 0.0384
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0368 0.1269 0.1393
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.028 0.087 0.1861
Schistosoma mansoni hypothetical protein 0.0308 0.0999 0.1088
Trichomonas vaginalis alpha-glucosidase, putative 0.028 0.087 0.1861
Brugia malayi hypothetical protein 0.0092 0.0018 0.0018
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0299 0.0958 0.2104
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0511 0.1921 0.474
Echinococcus multilocularis beta galactosidase 0.057 0.219 0.2163
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0147 0.0269 0.5
Loa Loa (eye worm) alpha amylase 0.0147 0.0269 0.0252
Brugia malayi Trehalase family protein 0.0265 0.0805 0.0805
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0145 0.0259 0.0189
Trichomonas vaginalis glycoside hydrolases, putative 0.0934 0.3841 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0523 0.1974 0.7635
Schistosoma mansoni hypothetical protein 0.017 0.037 0.0378
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0368 0.1269 0.1393
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0206 0.0537 0.052
Onchocerca volvulus Trehalase homolog 0.0265 0.0805 0.094
Brugia malayi Pre-SET motif family protein 0.0202 0.052 0.052
Echinococcus granulosus beta galactosidase 0.057 0.219 0.2163
Onchocerca volvulus 0.0265 0.0805 0.094
Loa Loa (eye worm) TRE-2 protein 0.0265 0.0805 0.0789
Loa Loa (eye worm) hypothetical protein 0.0265 0.0805 0.0789
Trichomonas vaginalis alpha-glucosidase, putative 0.028 0.087 0.1861
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.0153 0.0118
Echinococcus granulosus snurportin 1 0.0308 0.0999 0.0967
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Echinococcus multilocularis neutral alpha glucosidase AB 0.0523 0.1974 0.1946
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0276 0.0855 0.0847
Onchocerca volvulus 0.0265 0.0805 0.094
Trichomonas vaginalis glycogen phosphorylase, putative 0.0639 0.2503 0.6333
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0209 0.0552 0.0518
Schistosoma mansoni glycogen phosphorylase 0.0276 0.0855 0.0926
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0173 0.0384 0.0367
Schistosoma mansoni hypothetical protein 0.0283 0.0886 0.096
Leishmania major inosine-adenosine-guanosine-nucleoside hydrolase, putative 0.0425 0.1532 0.5999
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0206 0.0537 0.095
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0368 0.1269 0.1239
Echinococcus granulosus non lysosomal glucosylceramidase 0.0209 0.0552 0.0518
Trichomonas vaginalis sucrase-isomaltase, putative 0.0523 0.1974 0.4886
Trypanosoma cruzi hypothetical protein, conserved 0.0523 0.1974 1
Schistosoma mansoni thyroid hormone receptor 0.0131 0.0197 0.0183
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0523 0.1974 0.7635
Echinococcus multilocularis snurportin 1 0.0308 0.0999 0.0967
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0392 0.138 0.157
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.1974 0.4886
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0368 0.1269 0.1239
Echinococcus granulosus alpha glucosidase 0.0147 0.0269 0.0235
Loa Loa (eye worm) beta-glucuronidase 0.0159 0.0324 0.0307
Mycobacterium ulcerans alpha-L-fucosidase 0.1671 0.7188 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.0243 0.0225
Brugia malayi Glycosyl hydrolases family 38 protein 0.0096 0.0035 0.0035
Trichomonas vaginalis alpha-mannosidase, putative 0.0206 0.0537 0.095
Trypanosoma brucei inosine-adenosine-guanosine-nucleosidehydrolase 0.0425 0.1532 0.7722
Onchocerca volvulus 0.1901 0.8229 1
Schistosoma mansoni alpha-glucosidase 0.2047 0.8896 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.1974 0.4886
Echinococcus granulosus glycogen phosphorylase 0.0639 0.2503 0.2476
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.0634 0.0618
Brugia malayi Melibiase family protein 0.0299 0.0958 0.0958
Brugia malayi trehalase 0.0092 0.0018 0.0018
Entamoeba histolytica glycogen phosphorylase, putative 0.0276 0.0855 0.2625
Trichomonas vaginalis trehalase, putative 0.0265 0.0805 0.1684
Schistosoma mansoni alpha-amylase 0.0147 0.0269 0.0264
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.1974 0.4886
Loa Loa (eye worm) hypothetical protein 0.0392 0.138 0.1365
Echinococcus granulosus glycogen phosphorylase 0.0639 0.2503 0.2476
Loa Loa (eye worm) hypothetical protein 0.0173 0.0388 0.0371
Schistosoma mansoni beta-mannosidase 0.013 0.019 0.0175
Loa Loa (eye worm) trehalase 0.0265 0.0805 0.0789
Trichomonas vaginalis conserved hypothetical protein 0.0201 0.0514 0.0886
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0299 0.0958 0.1042
Echinococcus multilocularis glycogen debranching enzyme 0.0392 0.138 0.135
Trichomonas vaginalis set domain proteins, putative 0.023 0.0647 0.125
Entamoeba histolytica glycogen debranching enzyme, putative 0.0392 0.138 0.4974
Schistosoma mansoni hypothetical protein 0.027 0.0828 0.0895
Trichomonas vaginalis conserved hypothetical protein 0.0385 0.1349 0.3173
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.0781 0.1617
Echinococcus granulosus glycogen debranching enzyme 0.0392 0.138 0.135
Echinococcus granulosus Glycosyl transferase family 35 0.0639 0.2503 0.2476
Loa Loa (eye worm) alpha-L-fucosidase 0.1165 0.489 0.4881
Schistosoma mansoni alpha-amylase 0.0147 0.0269 0.0264
Brugia malayi Beta-glucuronidase precursor 0.0159 0.0324 0.0324
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0299 0.0958 0.1042
Loa Loa (eye worm) glycogen phosphorylase 0.0639 0.2503 0.2489
Onchocerca volvulus Glycogen phosphorylase homolog 0.0639 0.2503 0.3011
Brugia malayi hypothetical protein 0.0265 0.0805 0.0805
Loa Loa (eye worm) trehalase 0.0265 0.0805 0.0789
Schistosoma mansoni alpha-amylase 0.0147 0.0269 0.0264
Schistosoma mansoni thyroid hormone receptor 0.0131 0.0197 0.0183
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.026 0.0781 0.0764
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0191 0.0467 0.045
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0523 0.1974 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0368 0.1269 0.1393
Schistosoma mansoni glycogen phosphorylase 0.0639 0.2503 0.2785
Brugia malayi hypothetical protein 0.0092 0.0018 0.0018
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.028 0.087 0.4305
Trichomonas vaginalis beta-galactosidase, putative 0.0385 0.1349 0.3173
Echinococcus multilocularis glycogen phosphorylase 0.0639 0.2503 0.2476
Brugia malayi Trehalase family protein 0.0265 0.0805 0.0805
Trichomonas vaginalis maltase-glucoamylase, putative 0.028 0.087 0.1861
Schistosoma mansoni hypothetical protein 0.017 0.037 0.0378
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Schistosoma mansoni alpha-l-fucosidase 0.1165 0.489 0.5479
Schistosoma mansoni bile acid beta-glucosidase-related 0.0209 0.0552 0.0583
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.0999 0.0983
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.028 0.087 0.1861
Brugia malayi Glycosyl hydrolases family 38 protein 0.0096 0.0035 0.0035
Entamoeba histolytica glycogen phosphorylase, putative 0.0276 0.0855 0.2625
Trichomonas vaginalis alpha-glucosidase, putative 0.0523 0.1974 0.4886
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0523 0.1974 0.4886
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.0781 0.1617
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0174 0.0392 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0375 0.0505
Brugia malayi Glycosyl hydrolases family 38 protein 0.0206 0.0537 0.0537
Trichomonas vaginalis alpha-glucosidase, putative 0.028 0.087 0.1861
Brugia malayi Trehalase family protein 0.0265 0.0805 0.0805
Onchocerca volvulus 0.0265 0.0805 0.094
Echinococcus multilocularis lysosomal alpha glucosidase 0.229 1 1
Brugia malayi Alpha-L-fucosidase family protein 0.1165 0.489 0.489
Echinococcus granulosus bile acid beta glucosidase 0.0209 0.0552 0.0518
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0417 0.0619
Echinococcus granulosus neutral alpha glucosidase AB 0.0523 0.1974 0.1946
Echinococcus granulosus geminin 0.017 0.037 0.0337
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0147 0.0269 0.0269
Loa Loa (eye worm) TRE-1 protein 0.0265 0.0805 0.0789
Echinococcus multilocularis glycogen phosphorylase 0.0639 0.2503 0.2476
Giardia lamblia Glycogen phosphorylase 0.0639 0.2503 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0639 0.2503 0.6333
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.0781 0.1617
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0147 0.0269 0.0269
Echinococcus multilocularis geminin 0.017 0.037 0.0337

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 nM In vitro binding affinity against substance P receptor using [3H]-SP as radioligand in guinea pig lung membrane ChEMBL. 7518002

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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