Detailed information for compound 1800090

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 607.079 | Formula: C31H30ClN3O4PS+
  • H donors: 2 H acceptors: 3 LogP: 5.49 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@@H](NC1=NS(=O)(=O)c2c(N1)ccc(c2)Cl)COC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
  • InChi: 1S/C31H30ClN3O4PS/c1-23(33-31-34-28-18-17-24(32)21-29(28)41(37,38)35-31)22-39-30(36)19-20-40(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-18,21,23H,19-20,22H2,1H3,(H2,33,34,35)/q+1/t23-/m1/s1
  • InChiKey: ZEYLFZQCHCVZKN-HSZRJFAPSA-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
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0559 0.2482
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.2253 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.7367 0.8116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.7367 0.8116
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.2253 0.2482
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0972 0.1071
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.2253 0.2482
Schistosoma mansoni ap endonuclease 0.0018 0.2253 0.2253
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0559 0.2482
Plasmodium falciparum zinc finger protein, putative 0.0004 0.0018 0.008
Schistosoma mansoni tar DNA-binding protein 0.0063 0.9077 0.9077
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0668 0.0736
Brugia malayi TAR-binding protein 0.0063 0.9077 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.8871 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.9077 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.4413 0.4862
Schistosoma mansoni tar DNA-binding protein 0.0063 0.9077 0.9077
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.7367 0.8116
Echinococcus multilocularis cpg binding protein 0.0034 0.4697 0.5175
Loa Loa (eye worm) histone methyltransferase 0.001 0.0972 0.1071
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.7367 0.8116
Schistosoma mansoni tar DNA-binding protein 0.0063 0.9077 0.9077
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.9077 1
Trichomonas vaginalis helicase, putative 0.0007 0.0559 0.2482
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0559 0.2482
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0952 0.1049
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0559 0.2482
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0668 0.0736
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.2253 0.2482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.7367 0.7367
Echinococcus multilocularis tar DNA binding protein 0.0063 0.9077 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.2253 1
Schistosoma mansoni myst-related protein 0.0004 0.0018 0.0018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.7367 0.8116
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.2253 1
Onchocerca volvulus 0.0033 0.4413 1
Trichomonas vaginalis hypothetical protein 0.0004 0.0036 0.016
Entamoeba histolytica hypothetical protein 0.0004 0.0018 0.008
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0559 0.2482
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.2253 0.5
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0668 0.0736
Schistosoma mansoni cpg binding protein 0.0034 0.4697 0.4697
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0145 0.0145
Echinococcus granulosus cpg binding protein 0.0034 0.4697 0.5175
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.2253 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.2253 1
Brugia malayi RNA binding protein 0.0063 0.9077 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.9077 0.9077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.7367 0.7367
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.2253 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0668 0.0736
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.2253 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.4413 0.4862
Schistosoma mansoni tar DNA-binding protein 0.0063 0.9077 0.9077
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.2253 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.9077 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.2253 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.9077 1
Schistosoma mansoni cpg binding protein 0.0034 0.4697 0.4697
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0559 0.2482
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.2253 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.2253 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0036 0.016
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0559 0.2482
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0668 0.0668
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.2253 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0972 0.1071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.7367 0.7367
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0036 0.016
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.9077 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.2253 0.2482
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Toxoplasma gondii exonuclease III APE 0.0018 0.2253 0.2539
Schistosoma mansoni ap endonuclease 0.0018 0.2253 0.2253
Schistosoma mansoni myst-related protein 0.0004 0.0018 0.0018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0559 0.2482
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.7367 0.8116
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0559 0.2482
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.2253 1
Schistosoma mansoni cpg binding protein 0.0033 0.4413 0.4413

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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