Detailed information for compound 1587568

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.273 | Formula: C13H22FN3O11P2
  • H donors: 8 H acceptors: 10 LogP: -4.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(nc1=O)NCCCC(P(=O)(O)O)(P(=O)(O)O)O
  • InChi: 1S/C13H22FN3O11P2/c14-7-5-17(10-4-8(19)9(6-18)28-10)12(20)16-11(7)15-3-1-2-13(21,29(22,23)24)30(25,26)27/h5,8-10,18-19,21H,1-4,6H2,(H,15,16,20)(H2,22,23,24)(H2,25,26,27)/t8-,9+,10+/m0/s1
  • InChiKey: ONUJVBVHMIMHBF-IVZWLZJFSA-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 ap endonuclease, putative 0.0018 0.0077 0.3778
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0297 0.3995
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0016 0.0065 0.0236
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0742 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.004 0.0191 0.5232
Trichomonas vaginalis helicase, putative 0.0006 0.0013 0.0618
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0077 0.1049
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0077 0.0104
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0005 0.0006 0.0064
Plasmodium vivax DNA polymerase 1, putative 0.0004 0.0001 0.0003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0016 0.0197
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0742 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0005 0.0006 0.0062
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0077 0.3778
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0296 0.1084
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0296 1
Echinococcus granulosus cpg binding protein 0.003 0.0137 0.1887
Echinococcus multilocularis zinc finger protein 0.0005 0.0006 0.0062
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0203 1
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0191 0.07
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0013 0.0618
Loa Loa (eye worm) acetyltransferase 0.0142 0.0742 1
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0016 0.0065 0.0236
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0013 0.0618
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0296 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0013 0.0618
Brugia malayi CXXC zinc finger family protein 0.0028 0.0128 0.0175
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0025 0.033
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0077 0.0278
Brugia malayi DNA polymerase I family protein 0.0016 0.0065 0.0088
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.004 0.0191 0.07
Trichomonas vaginalis DNA polymerase I, putative 0.0016 0.0065 0.3211
Schistosoma mansoni cpg binding protein 0.003 0.0137 0.1846
Plasmodium falciparum telomerase reverse transcriptase 0.0511 0.2716 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0217 0.3003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0217 0.3003
Leishmania major telomerase reverse transcriptase, putative 0.0511 0.2716 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0062
Echinococcus multilocularis cpg binding protein 0.003 0.0137 0.1833
Onchocerca volvulus 0.0028 0.0128 0.0086
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0296 0.3972
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0217 0.2917
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0013 0.0618
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0742 0.102
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0024 0.0032
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0184 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0511 0.2716 1
Echinococcus multilocularis twinkle protein, mitochondrial 0.0012 0.0043 0.0558
Giardia lamblia Telomerase catalytic subunit 0.0511 0.2716 1
Brugia malayi PHD-finger family protein 0.0005 0.0006 0.0006
Mycobacterium ulcerans 5'-3' exonuclease 0.004 0.0191 0.5232
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0077 0.0278
Toxoplasma gondii exonuclease III APE 0.0018 0.0077 0.0043
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0203 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0296 1
Schistosoma mansoni zinc finger protein 0.0005 0.0006 0.0078
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0203 0.052
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0013 0.0618
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0077 0.1019
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0016 0.0197
Schistosoma mansoni cpg binding protein 0.0028 0.0128 0.173
Plasmodium vivax telomerase reverse transcriptase, putative 0.0511 0.2716 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0077 0.0278
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0016 0.0203
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.004 0.0191 0.0702
Schistosoma mansoni hypothetical protein 0.0012 0.0043 0.0572
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0281 0.0815
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0056 0.0278 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0025 0.032
Schistosoma mansoni ap endonuclease 0.0018 0.0077 0.1033
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0013 0.0618
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0077 0.0281
Chlamydia trachomatis DNA polymerase I 0.0056 0.0278 0.5
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0056 0.0278 0.9192
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0016 0.0065 0.0236
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0217 0.2928
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0191 0.07
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0217 0.2928
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0077 0.0967
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0203 0.052
Schistosoma mansoni hypothetical protein 0.0012 0.0043 0.0572
Loa Loa (eye worm) twinkle helicase 0.0012 0.0043 0.0558
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0128 0.1717
Schistosoma mansoni bromodomain containing protein 0.0005 0.0006 0.0078
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0025 0.032
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0077 0.0278
Plasmodium vivax plastid replication-repair enzyme, putative 0.0016 0.0065 0.0238
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0191 0.07
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0296 0.0869
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Schistosoma mansoni bromodomain containing protein 0.0005 0.0006 0.0078
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0184 0.0675
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0217 0.2917
Mycobacterium ulcerans DNA polymerase I 0.0056 0.0278 0.9192
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0019 0.0083 0.0066
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0016 0.0203
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0077 0.0278
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0191 0.07
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0217 0.2917
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0016 0.0065 0.0236
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0721 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0296 0.3981
Trypanosoma brucei telomerase reverse transcriptase 0.0511 0.2716 1
Schistosoma mansoni ap endonuclease 0.0018 0.0077 0.1033
Brugia malayi Telomerase reverse transcriptase 0.1359 0.7263 1
Leishmania major mitochondrial DNA polymerase I protein A, putative 0.0016 0.0065 0.0236
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0296 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0296 0.409
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0016 0.0212
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0203 0.2806
Echinococcus granulosus twinkle protein mitochondrial 0.0012 0.0043 0.0574
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0056 0.0278 0.5
Echinococcus granulosus zinc finger protein 0.0005 0.0006 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0217 0.2928
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0013 0.0618
Schistosoma mansoni DNA polymerase gamma 0.0004 0.0001 0.0016
Toxoplasma gondii RNA-directed DNA polymerase 0.0511 0.2716 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0511 0.2716 1
Brugia malayi Bromodomain containing protein 0.0005 0.0006 0.0006
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0296 0.3981
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0013 0.0618
Plasmodium falciparum plastid replication-repair enzyme 0.0016 0.0065 0.0236
Schistosoma mansoni cpg binding protein 0.003 0.0137 0.1846
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0062
Schistosoma mansoni DNA polymerase I 0.0016 0.0065 0.0878
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0203 0.0746
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0217 0.0298
Treponema pallidum DNA polymerase I (polA) 0.0056 0.0278 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0863
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0077 0.1019
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0013 0.0618
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0184 0.0408

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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