Detailed information for compound 661883

Basic information

Technical information
  • TDR Targets ID: 661883
  • Name: STOCK3S-40318
  • MW: 359.375 | Formula: C22H17NO4
  • H donors: 1 H acceptors: 3 LogP: 4.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)Oc1ccc(c(c1)C)C
  • InChi: 1S/C22H17NO4/c1-13-3-8-17(11-14(13)2)27-18-9-10-19-20(12-18)22(26)23(21(19)25)15-4-6-16(24)7-5-15/h3-12,24H,1-2H3
  • InChiKey: DWLFDNHMXRAALU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_584198
  • ZINC01154193

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
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0014 0.0022
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0415 0.5071 1
Mycobacterium ulcerans heat shock protein 90 0.0415 0.5071 0.5951
Giardia lamblia Heat shock protein HSP 90-alpha 0.0521 0.6464 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0106 0.1016 0.1572
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0106 0.1016 0.1003
Loa Loa (eye worm) hypothetical protein 0.0049 0.0265 0.0389
Echinococcus multilocularis heat shock protein 0.0521 0.6464 0.6459
Plasmodium vivax DNA gyrase subunit B, putative 0.0106 0.1016 0.1553
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Schistosoma mansoni hypothetical protein 0.0034 0.007 0.0086
Loa Loa (eye worm) hypothetical protein 0.005 0.0277 0.0407
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Plasmodium falciparum endoplasmin, putative 0.032 0.3819 0.5145
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0214 0.2426 0.3672
Echinococcus granulosus heat shock protein 90 0.0521 0.6464 1
Trichomonas vaginalis heat shock protein, putative 0.0415 0.5071 0.7443
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0106 0.1016 0.369
Plasmodium vivax heat shock protein, putative 0.0214 0.2426 0.3739
Echinococcus granulosus geminin 0.0165 0.1791 0.2771
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0415 0.5071 0.5951
Plasmodium vivax heat shock protein 90, putative 0.0214 0.2426 0.3739
Brugia malayi Endoplasmin precursor 0.0521 0.6464 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0415 0.5071 0.7443
Trichomonas vaginalis heat shock protein, putative 0.0415 0.5071 0.7443
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0083 0.0129
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0415 0.5071 0.7845
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0521 0.6464 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0106 0.1016 0.1553
Brugia malayi heat shock protein 90 0.0521 0.6464 1
Echinococcus multilocularis endoplasmin 0.0415 0.5071 0.5064
Loa Loa (eye worm) heat shock protein 75 0.0214 0.2426 0.3739
Loa Loa (eye worm) hypothetical protein 0.0034 0.007 0.0086
Schistosoma mansoni endoplasmin 0.0521 0.6464 1
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0265 0.0389
Echinococcus granulosus heat shock protein 90 0.0415 0.5071 0.7845
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0354 0.0548
Toxoplasma gondii heat shock protein 75, putative 0.0214 0.2426 0.3739
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0265 0.0389
Trypanosoma brucei heat shock protein 90, putative 0.0521 0.6464 1
Trichomonas vaginalis heat shock protein, putative 0.0415 0.5071 0.7443
Brugia malayi mbt repeat family protein 0.0049 0.0265 0.0389
Schistosoma mansoni heat shock protein 0.0214 0.2426 0.3739
Schistosoma mansoni hypothetical protein 0.0165 0.1791 0.2755
Giardia lamblia Heat shock protein HSP 90-alpha 0.0415 0.5071 0.7443
Toxoplasma gondii heat shock protein HSP90 0.0521 0.6464 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0234 0.022
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0265 0.0251
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0265 0.0251
Trypanosoma cruzi heat shock protein 85, putative 0.0521 0.6464 1
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Schistosoma mansoni lipoxygenase 0.0121 0.1211 0.1855
Schistosoma mansoni pyruvate dehydrogenase 0.0106 0.1016 0.1553
Plasmodium falciparum heat shock protein 90, putative 0.0214 0.2426 0.2588
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0234 0.034
Trypanosoma brucei Heat shock protein 83, putative 0.0521 0.6464 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.2153 0.2142
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0265 0.041
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0106 0.1016 0.1553
Schistosoma mansoni lipoxygenase 0.0085 0.0733 0.1114
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0265 0.0923
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Trypanosoma cruzi heat shock protein 90, putative 0.0521 0.6464 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0354 0.0526
Echinococcus granulosus heat shock protein 0.0521 0.6464 1
Loa Loa (eye worm) endoplasmin 0.0521 0.6464 1
Plasmodium vivax heat shock protein 86, putative 0.0521 0.6464 1
Loa Loa (eye worm) MBCTL1 0.0056 0.0354 0.0526
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0354 0.0548
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0106 0.1016 0.5
Leishmania major heat shock protein, putative 0.0214 0.2426 0.2588
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0354 0.0526
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0106 0.1016 0.1003
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Schistosoma mansoni heat shock protein 0.0521 0.6464 1
Echinococcus multilocularis neuropeptide s receptor 0.0447 0.5486 0.548
Trichomonas vaginalis endoplasmin, putative 0.032 0.3819 0.5145
Echinococcus granulosus endoplasmin 0.0415 0.5071 0.7845
Onchocerca volvulus 0.0237 0.2729 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0083 0.0107
Trypanosoma cruzi heat shock protein, putative 0.0214 0.2426 0.2588
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0354 0.034
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0106 0.1016 0.1003
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0106 0.1016 0.1572
Schistosoma mansoni hypothetical protein 0.0297 0.3526 0.5445
Schistosoma mansoni heat shock protein 0.0521 0.6464 1
Trypanosoma cruzi heat shock protein 85, putative 0.0521 0.6464 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0214 0.2426 0.2415
Loa Loa (eye worm) hypothetical protein 0.0056 0.0354 0.0526
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0625 0.7829 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0234 0.0362
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.2153 0.3331
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Schistosoma mansoni endoplasmin 0.0521 0.6464 1
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.1211 0.1198
Entamoeba histolytica heat shock protein 90, putative 0.0521 0.6464 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0106 0.1016 0.1462
Trichomonas vaginalis heat shock protein, putative 0.032 0.3819 0.5145
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Treponema pallidum heat shock protein 90 0.0415 0.5071 1
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Trypanosoma cruzi heat shock protein 90, putative 0.0308 0.3661 0.4855
Toxoplasma gondii Hsp90 domain-containing protein 0.0214 0.2426 0.3739
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Schistosoma mansoni hypothetical protein 0.0035 0.0083 0.0107
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Plasmodium vivax DNA topoisomerase II, putative 0.0106 0.1016 0.1553
Plasmodium falciparum heat shock protein 90 0.0521 0.6464 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1016 0.1553
Brugia malayi Probable DNA topoisomerase II 0.0106 0.1016 0.1553
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0106 0.1016 0.369
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Schistosoma mansoni hypothetical protein 0.0165 0.1791 0.2755
Chlamydia trachomatis DNA gyrase subunit B 0.0106 0.1016 0.5
Brugia malayi mbt repeat family protein 0.0049 0.0265 0.0389
Schistosoma mansoni DNA topoisomerase II 0.0106 0.1016 0.1553
Brugia malayi kinase, mitochondrial precursor 0.0106 0.1016 0.1553
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.1211 0.1873
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0415 0.5071 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0106 0.1016 0.1553
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0277 0.0407
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.123 0.1885
Echinococcus granulosus neuropeptide receptor A26 0.0447 0.5486 0.8488
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0106 0.1016 0.1553
Trichomonas vaginalis set domain proteins, putative 0.0237 0.2729 0.3144
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.007 0.0086
Trypanosoma brucei heat shock protein 84, putative 0.0214 0.2426 0.2588
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Plasmodium falciparum heat shock protein 90, putative 0.0214 0.2426 0.2588
Entamoeba histolytica heat shock protein 90, putative 0.0521 0.6464 1
Loa Loa (eye worm) TOPoisomerase family member 0.0106 0.1016 0.1553
Toxoplasma gondii heat shock protein 90, putative 0.0521 0.6464 1
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0265 0.041
Trichomonas vaginalis heat shock protein, putative 0.0214 0.2426 0.2588
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0277 0.0407
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0083 0.0069
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0625 0.7829 1
Echinococcus multilocularis neuropeptide receptor A26 0.0447 0.5486 0.548
Plasmodium vivax hypothetical protein, conserved 0.0106 0.1016 0.1553
Brugia malayi Pre-SET motif family protein 0.0208 0.2352 0.3624
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0106 0.1016 0.369
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0234 0.034
Onchocerca volvulus 0.0049 0.0265 0.0923
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0265 0.0389
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0214 0.2426 0.8884
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0214 0.2426 0.3753
Brugia malayi MH2 domain containing protein 0.0122 0.123 0.1885
Giardia lamblia Grp94/Hsp90 0.0415 0.5071 0.7443
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2352 0.3624
Loa Loa (eye worm) heat shock protein 90 0.0521 0.6464 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0106 0.1016 0.1553
Chlamydia trachomatis DNA gyrase subunit B 0.0106 0.1016 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0234 0.034
Trypanosoma cruzi heat shock protein 85, putative 0.0521 0.6464 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0106 0.1016 0.1553
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Plasmodium vivax endoplasmin, putative 0.0521 0.6464 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0234 0.034
Loa Loa (eye worm) hypothetical protein 0.0106 0.1016 0.1553
Trypanosoma cruzi heat shock protein 85, putative 0.0415 0.5071 0.7443
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0265 0.0389
Echinococcus multilocularis heat shock protein 90 0.0521 0.6464 0.6459
Trypanosoma brucei heat shock protein 90, putative 0.0521 0.6464 1
Echinococcus multilocularis geminin 0.0165 0.1791 0.178
Brugia malayi hypothetical protein 0.0035 0.0083 0.0107
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0234 0.034
Trypanosoma cruzi heat shock protein 90, putative 0.0415 0.5071 0.7443
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0277 0.0407
Loa Loa (eye worm) hypothetical protein 0.0106 0.1016 0.1553
Trichomonas vaginalis heat shock protein, putative 0.0521 0.6464 1
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Brugia malayi Hsp90 protein 0.0214 0.2426 0.3739
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0234 0.0362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0234 0.022
Trypanosoma brucei heat shock protein, putative 0.0521 0.6464 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.123 0.1885
Leishmania major heat shock protein 83-1 0.0521 0.6464 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0354 0.034
Echinococcus granulosus neuropeptide s receptor 0.0447 0.5486 0.8488
Echinococcus multilocularis heat shock protein 90 0.0415 0.5071 0.5064

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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