Detailed information for compound 762845

Basic information

Technical information
  • TDR Targets ID: 762845
  • Name: Oprea1_101673
  • MW: 396.549 | Formula: C22H28N4OS
  • H donors: 0 H acceptors: 3 LogP: 4.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCCCC1)C
  • InChi: 1S/C22H28N4OS/c1-13(2)17-15-11-27-22(3,4)10-14(15)16-18-19(28-21(16)25-17)20(24-12-23-18)26-8-6-5-7-9-26/h12-13H,5-11H2,1-4H3
  • InChiKey: KLRPKEQYFQNNBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK2S-04598
  • ZINC04360253

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 brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.3981 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0007 0.015 0.015
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0007 0.015 0.0071
Plasmodium falciparum plasmepsin IV 0.0084 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.3981 1
Onchocerca volvulus 0.002 0.1739 0.6001
Plasmodium vivax aspartyl protease, putative 0.002 0.1739 0.1613
Plasmodium vivax aspartyl proteinase, putative 0.002 0.1739 0.1613
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0084 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.3981 0.3889
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.3981 0.3981
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.244 0.2325
Schistosoma mansoni cpg binding protein 0.0028 0.2797 0.274
Schistosoma mansoni synaptojanin 0.0007 0.015 0.0071
Leishmania major hypothetical protein, conserved 0.0025 0.244 0.5978
Loa Loa (eye worm) hypothetical protein 0.002 0.1739 0.1613
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0285 0.0354
Schistosoma mansoni cathepsin D (A01 family) 0.0084 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.6033 0.5972
Plasmodium falciparum plasmepsin VIII, putative 0.002 0.1739 0.1613
Brugia malayi hypothetical protein 0.002 0.1739 0.4148
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.244 0.2325
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.3981 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0084 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Loa Loa (eye worm) hypothetical protein 0.0084 1 1
Plasmodium falciparum plasmepsin IX 0.002 0.1739 0.1613
Loa Loa (eye worm) hypothetical protein 0.0025 0.244 0.2325
Echinococcus granulosus cpg binding protein 0.003 0.3003 0.2948
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0007 0.015 0.015
Brugia malayi aspartic protease BmAsp-1, identical 0.002 0.1739 0.4148
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0642 0.0568
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.3981 0.3933
Echinococcus multilocularis traf and tnf receptor associated protein 0.0007 0.015 0.0071
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.244 0.5978
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0007 0.015 0.015
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0007 0.015 0.0071
Brugia malayi aspartic protease BmAsp-2, identical 0.002 0.1739 0.4148
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0007 0.015 0.015
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0007 0.015 0.0071
Loa Loa (eye worm) aspartyl protease 6 0.002 0.1739 0.1613
Plasmodium falciparum plasmepsin V 0.002 0.1739 0.1613
Schistosoma mansoni hypothetical protein 0.0011 0.0642 0.0568
Plasmodium vivax aspartyl proteinase, putative 0.0084 1 1
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0007 0.015 0.015
Schistosoma mansoni ap endonuclease 0.0037 0.3981 0.3933
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.244 0.5978
Loa Loa (eye worm) histone methyltransferase 0.0009 0.03 0.0152
Brugia malayi hypothetical protein 0.002 0.1739 0.4148
Toxoplasma gondii aspartyl protease ASP3 0.002 0.1739 0.1613
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Onchocerca volvulus 0.0028 0.2797 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.03 0.0222
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.2797 0.2688
Loa Loa (eye worm) aspartic protease BmAsp-1 0.002 0.1739 0.1613
Plasmodium vivax plasmepsin IV, putative 0.0084 1 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.2797 0.6911
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0084 1 1
Schistosoma mansoni memapsin-2 (A01 family) 0.002 0.1739 0.1673
Schistosoma mansoni cpg binding protein 0.003 0.3003 0.2948
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.6852 0.6827
Echinococcus multilocularis deoxyribonuclease 1 2 0.0007 0.015 0.0071
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0642 0.0568
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.244 0.2325
Plasmodium vivax aspartyl protease, putative 0.002 0.1739 0.1613
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0084 1 1
Plasmodium falciparum plasmepsin VI 0.0084 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.3981 0.3889
Schistosoma mansoni ap endonuclease 0.0037 0.3981 0.3933
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0007 0.015 0.015
Schistosoma mansoni cpg binding protein 0.003 0.3003 0.2948
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.3981 0.5
Plasmodium falciparum plasmepsin I 0.0084 1 1
Schistosoma mansoni cript-related 0.0007 0.015 0.0071
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.002 0.1739 0.1613
Echinococcus granulosus traf and tnf receptor associated protein 0.0007 0.015 0.0071
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Loa Loa (eye worm) hypothetical protein 0.002 0.1739 0.1613
Toxoplasma gondii aspartyl protease 0.002 0.1739 0.1613
Brugia malayi Eukaryotic aspartyl protease family protein 0.002 0.1739 0.4148
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.3981 1
Schistosoma mansoni hypothetical protein 0.0007 0.015 0.0071
Trichomonas vaginalis Phospholipase C precursor, putative 0.0007 0.015 0.015
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0007 0.015 0.0071
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.03 0.0222
Brugia malayi hypothetical protein 0.0016 0.1285 0.2962
Echinococcus granulosus synaptojanin 1 0.0007 0.015 0.0071
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.3981 1
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.3981 0.3981
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.3981 1
Echinococcus multilocularis synaptojanin 1 0.0007 0.015 0.0071
Plasmodium falciparum plasmepsin X 0.002 0.1739 0.1613
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.3981 1
Plasmodium falciparum plasmepsin II 0.0084 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0084 1 1
Toxoplasma gondii aspartyl protease ASP1 0.0084 1 1
Plasmodium falciparum plasmepsin VII 0.002 0.1739 0.1613
Plasmodium vivax aspartyl protease, putative 0.002 0.1739 0.1613
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.244 0.5978
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.244 0.2325
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0007 0.015 0.0071
Brugia malayi hypothetical protein 0.0025 0.244 0.5978
Echinococcus granulosus neutral sphingomyelinase 0.0007 0.015 0.0071
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0007 0.015 0.0071
Schistosoma mansoni cathepsin D (A01 family) 0.0084 1 1
Schistosoma mansoni carbon catabolite repressor protein 0.0007 0.015 0.0071
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0007 0.015 0.015
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.3981 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.3981 0.3933
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0007 0.015 0.0071
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0007 0.015 0.015
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.3981 1
Echinococcus multilocularis cpg binding protein 0.003 0.3003 0.2948
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.3981 0.3889
Schistosoma mansoni nocturnin 0.0007 0.015 0.0071
Schistosoma mansoni synaptojanin 0.0007 0.015 0.0071
Onchocerca volvulus 0.002 0.1739 0.6001
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.1739 0.1673
Brugia malayi Pepsin A precursor 0.002 0.1739 0.4148
Plasmodium vivax plasmepsin V, putative 0.002 0.1739 0.1613
Plasmodium falciparum plasmepsin III 0.002 0.1739 0.1613
Echinococcus multilocularis neutral sphingomyelinase 0.0007 0.015 0.0071
Toxoplasma gondii exonuclease III APE 0.0037 0.3981 0.3889
Schistosoma mansoni neutral sphingomyelinase 0.0007 0.015 0.0071
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.3981 0.5

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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