Detailed information for compound 1249481

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.507 | Formula: C30H23NO5
  • H donors: 1 H acceptors: 3 LogP: 5.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1O)OC(c1c2ccc2c1C(=O)N(C2=O)c1ccc(cc1)c1ccccc1)(C)C
  • InChi: 1S/C30H23NO5/c1-30(2)25-20(21-15-16-23(35-3)26(32)27(21)36-30)13-14-22-24(25)29(34)31(28(22)33)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16,32H,1-3H3
  • InChiKey: AYCZREZZTRAYGK-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 Possible conserved lipoprotein LpqK 0.0042 0.0829 0.0884
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0829 0.075
Echinococcus granulosus tar DNA binding protein 0.0073 0.1908 0.2608
Brugia malayi beta-lactamase 0.0042 0.0829 0.1133
Brugia malayi Flap endonuclease-1 0.0028 0.036 0.0492
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0829 0.0884
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0816 0.3981
Mycobacterium tuberculosis Conserved protein 0.0042 0.0829 0.0884
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Brugia malayi beta-lactamase family protein 0.0042 0.0829 0.1133
Brugia malayi CXXC zinc finger family protein 0.0093 0.2588 0.3537
Toxoplasma gondii histone lysine methyltransferase SET1 0.0177 0.5434 1
Toxoplasma gondii ABC1 family protein 0.0042 0.0829 0.139
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0035 0.0594 0.0605
Schistosoma mansoni cpg binding protein 0.0099 0.277 0.45
Plasmodium falciparum flap endonuclease 1 0.0028 0.036 0.5395
Echinococcus granulosus chromobox protein 1 0.0074 0.192 0.2624
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0829 0.0884
Mycobacterium tuberculosis Conserved protein 0.0042 0.0829 0.0884
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0205 0.0652
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.4987 0.5833
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0086 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0829 0.075
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0829 0.075
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0033 0.0539 0.2473
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0035 0.0594 0.0965
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0205 0.0652
Mycobacterium leprae Probable lipase LipE 0.0042 0.0829 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0816 0.3981
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0829 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.1223 0.1147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1012 0.1644
Trichomonas vaginalis helicase, putative 0.0021 0.0128 0.0231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1108 0.1515
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1012 0.1644
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0829 0.4051
Loa Loa (eye worm) hypothetical protein 0.012 0.3505 0.4791
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.036 0.0492
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1133
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.036 0.3692
Onchocerca volvulus 0.0042 0.0829 0.106
Onchocerca volvulus 0.0093 0.2588 0.6936
Loa Loa (eye worm) histone methyltransferase 0.0029 0.0391 0.0535
Schistosoma mansoni chromobox protein 0.0074 0.192 0.312
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.036 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0195 0.603 0.8241
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0033 0.0539 0.2473
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0029 0.0391 0.0535
Echinococcus multilocularis flap endonuclease 1 0.0028 0.036 0.0492
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0033 0.0539 0.2473
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1133
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0829 0.0884
Brugia malayi RNA binding protein 0.0073 0.1908 0.2608
Onchocerca volvulus 0.0047 0.1021 0.1701
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0829 0.1347
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0029 0.0391 0.0535
Schistosoma mansoni survival motor neuron protein 0.0047 0.1021 0.1659
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0405 0.1739
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0594 0.0951
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0033 0.0539 0.2473
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0829 0.0884
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Loa Loa (eye worm) hypothetical protein 0.0232 0.7317 1
Entamoeba histolytica hypothetical protein 0.0195 0.603 1
Schistosoma mansoni cpg binding protein 0.0093 0.2588 0.4206
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0829 0.1133
Echinococcus granulosus mixed lineage leukemia protein mll 0.0023 0.0198 0.027
Echinococcus multilocularis chromobox protein 1 0.0074 0.192 0.2624
Schistosoma mansoni cpg binding protein 0.0099 0.277 0.45
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0035 0.0594 0.6843
Schistosoma mansoni transcription factor LCR-F1 0.0195 0.603 0.9799
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0086 0.0117
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0923 0.4564
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1108 0.1515
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0923 0.4564
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0923 0.1374
Mycobacterium ulcerans hypothetical protein 0.0042 0.0829 0.1516
Loa Loa (eye worm) TAR-binding protein 0.0073 0.1908 0.2608
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0829 0.1347
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0829 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0829 0.1133
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0594 0.0812
Brugia malayi hypothetical protein 0.012 0.3505 0.4791
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0829 0.4051
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0829 0.4051
Onchocerca volvulus 0.0042 0.0829 0.106
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0033 0.0539 0.2473
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.036 0.0277
Schistosoma mansoni hypothetical protein 0.0034 0.057 0.0926
Brugia malayi Isocitrate dehydrogenase 0.0035 0.0594 0.0812
Schistosoma mansoni flap endonuclease-1 0.0025 0.0269 0.0436
Echinococcus granulosus cpg binding protein 0.0099 0.277 0.3785
Onchocerca volvulus Huntingtin homolog 0.012 0.3505 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0023 0.0198 0.027
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0594 0.0951
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.4421 0.4372
Onchocerca volvulus Huntingtin homolog 0.012 0.3505 1
Schistosoma mansoni hypothetical protein 0.0195 0.603 0.9799
Mycobacterium tuberculosis Conserved protein 0.0042 0.0829 0.0884
Loa Loa (eye worm) hypothetical protein 0.0034 0.057 0.0779
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1012 0.1644
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0023 0.0198 0.027
Entamoeba histolytica Flap nuclease, putative 0.0028 0.036 0.0462
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0594 0.0513
Brugia malayi hypothetical protein 0.0195 0.603 0.8241
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1908 0.3101
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0086 0.0117
Brugia malayi TAR-binding protein 0.0073 0.1908 0.2608
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.7317 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1012 0.1383
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0897 0.0818
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0023 0.0198 0.027
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0035 0.0594 0.0812
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1012 0.1383
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0594 0.0812
Mycobacterium ulcerans beta-lactamase 0.0042 0.0829 0.1516
Echinococcus multilocularis chromobox protein 1 0.0074 0.192 0.2624
Loa Loa (eye worm) CXXC zinc finger family protein 0.0093 0.2588 0.3537
Mycobacterium ulcerans lipase LipD 0.0042 0.0829 0.1516
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0897 0.0818
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0829 0.1133
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0594 0.0513
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.1908 0.2608
Brugia malayi F/Y-rich N-terminus family protein 0.0029 0.0379 0.0518
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0023 0.0198 0.0321
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1908 0.3101
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0086 0.0117
Onchocerca volvulus 0.0042 0.0829 0.106
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0405 0.1739
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0829 0.1133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1012 0.1383
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0829 0.4051
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0035 0.0594 0.0513
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0816 0.1016
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0033 0.0539 0.2473
Leishmania major hypothetical protein, conserved 0.0042 0.0829 0.075
Trichomonas vaginalis esterase, putative 0.0042 0.0829 0.4051
Loa Loa (eye worm) hypothetical protein 0.0032 0.0512 0.0699
Toxoplasma gondii hypothetical protein 0.005 0.1116 0.1926
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0829 0.1516
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0035 0.0594 0.0513
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0035 0.0594 1
Echinococcus multilocularis cpg binding protein 0.0099 0.277 0.3785
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1133
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.7317 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1908 0.3101
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.036 0.0277
Loa Loa (eye worm) isocitrate dehydrogenase 0.0035 0.0594 0.0812
Echinococcus granulosus flap endonuclease 1 0.0028 0.036 0.0492
Echinococcus granulosus chromobox protein 1 0.0074 0.192 0.2624
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1012 0.1383
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1133
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1012 0.1383
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0897 0.0818
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.192 0.2624
Loa Loa (eye worm) hypothetical protein 0.005 0.1108 0.1515
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0829 0.1516
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1133
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0086 0.0117
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0195 0.603 0.8241
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0267 0.8489 1
Schistosoma mansoni chromobox protein 0.0074 0.192 0.312
Brugia malayi beta-lactamase family protein 0.0042 0.0829 0.1133
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.4421 0.4372
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0829 0.0884
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0897 0.0818
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0035 0.0594 0.0812
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0153 0.0365
Entamoeba histolytica hypothetical protein 0.0195 0.603 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0816 0.1115
Schistosoma mansoni hypothetical protein 0.0047 0.1021 0.1659
Schistosoma mansoni ap endonuclease 0.002 0.0086 0.0139
Trichomonas vaginalis chromobox protein, putative 0.0074 0.192 1
Loa Loa (eye worm) RNA binding protein 0.0073 0.1908 0.2608
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1021 0.1395
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0198 0.6154 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.036 0.0277
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0033 0.0539 0.2473
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.4421 0.4372
Loa Loa (eye worm) hypothetical protein 0.012 0.3505 0.4791
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0594 0.0513
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1908 0.3101
Schistosoma mansoni ap endonuclease 0.002 0.0086 0.0139
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0086 0.5
Trichomonas vaginalis chromobox protein, putative 0.0074 0.192 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0829 0.0884
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.036 0.1496
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Echinococcus multilocularis isocitrate dehydrogenase 0.0035 0.0594 0.0812
Brugia malayi Heterochromatin protein 1 0.0074 0.192 0.2624
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1108 0.1515
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0594 0.0812
Brugia malayi chromobox protein homolog 3 0.0041 0.0816 0.1115
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0829 0.4051
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.036 0.0513
Entamoeba histolytica hypothetical protein 0.0195 0.603 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Entamoeba histolytica hypothetical protein 0.0195 0.603 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0033 0.0539 0.2473
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1012 0.1383
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1133
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.1908 0.2608
Mycobacterium ulcerans hypothetical protein 0.0164 0.4987 1
Brugia malayi hypothetical protein 0.0232 0.7317 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1908 0.3101
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0311 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.057 0.0779
Loa Loa (eye worm) beta-lactamase 0.0042 0.0829 0.1133
Echinococcus multilocularis tar DNA binding protein 0.0073 0.1908 0.2608
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0128 0.0231
Brugia malayi isocitrate dehydrogenase 0.0035 0.0594 0.0812

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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