Detailed information for compound 1693981

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.199 | Formula: C9H15N2O6P
  • H donors: 3 H acceptors: 5 LogP: -1.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H](Cn1cc(C)c(=O)[nH]c1=O)OCP(=O)(O)O
  • InChi: 1S/C9H15N2O6P/c1-6-3-11(9(13)10-8(6)12)4-7(2)17-5-18(14,15)16/h3,7H,4-5H2,1-2H3,(H,10,12,13)(H2,14,15,16)/t7-/m1/s1
  • InChiKey: XIZPVMOLDUEBMU-SSDOTTSWSA-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
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0432 0.1013
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2756 1
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0208 0.0208
Echinococcus multilocularis cpg binding protein 0.003 0.0303 0.0303
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 0.0749 0.0749
Trichomonas vaginalis glutaminase, putative 0.0316 0.4077 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0462 0.0016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0605 0.0605
Echinococcus granulosus cpg binding protein 0.003 0.0303 0.0303
Brugia malayi beta-lactamase 0.0042 0.0456 0.1072
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2756 0.241
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0728 0.0728
Toxoplasma gondii hypothetical protein 0.0048 0.0543 0.5979
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0456 0.0869
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0605 0.0605
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Loa Loa (eye worm) hypothetical protein 0.004 0.0432 0.101
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Brugia malayi CXXC zinc finger family protein 0.0028 0.0282 0.0642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0605 0.1152
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.3416 0.3101
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0605 0.1438
Echinococcus multilocularis RUN 0.0023 0.0208 0.0208
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1774 0.3881
Schistosoma mansoni lipoxygenase 0.0023 0.0208 0.0395
Loa Loa (eye worm) glutaminase 2 0.0316 0.4077 1
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.3852 1
Schistosoma mansoni loxhd1 0.0023 0.0208 0.0395
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0728 0.174
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0208 0.0208
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0605 0.1435
Schistosoma mansoni hypothetical protein 0.0023 0.0208 0.0395
Brugia malayi glutaminase DH11.1 0.0316 0.4077 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.3852 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Brugia malayi beta-lactamase family protein 0.0042 0.0456 0.1072
Onchocerca volvulus 0.0042 0.0456 1
Loa Loa (eye worm) glutaminase 0.0316 0.4077 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0765 1 1
Schistosoma mansoni hypothetical protein 0.0405 0.525 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Mycobacterium ulcerans thymidine phosphorylase 0.0765 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1774 0.3881
Brugia malayi hypothetical protein 0.0036 0.0381 0.0888
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0728 0.174
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0456 0.1072
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0605 0.0605
Echinococcus granulosus RUN 0.0023 0.0208 0.0208
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0456 0.0869
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Loa Loa (eye worm) RNA binding protein 0.0062 0.0728 0.174
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0432 0.1013
Schistosoma mansoni rab6-interacting 0.0023 0.0208 0.0395
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0728 0.1743
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.0578
Brugia malayi TAR-binding protein 0.0062 0.0728 0.1743
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0605 0.1152
Echinococcus granulosus dnaJ subfamily B 0.0405 0.525 0.525
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0432 0.0432
Schistosoma mansoni cpg binding protein 0.0028 0.0282 0.0537
Onchocerca volvulus 0.0042 0.0456 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0456 0.0456
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0462 0.0016
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0618 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0208 0.0456
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0432 1
Brugia malayi hypothetical protein 0.0023 0.0208 0.0459
Schistosoma mansoni polycystin 1-related 0.0023 0.0208 0.0395
Echinococcus granulosus tar DNA binding protein 0.0062 0.0728 0.0728
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0456 0.1069
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0432 0.1013
Brugia malayi hypothetical protein 0.0036 0.0381 0.0888
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.0578
Mycobacterium ulcerans glutaminase 0.0316 0.4077 0.3794
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0282 0.0639
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.3852 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0064 0.0749 0.0749
Brugia malayi Doublecortin family protein 0.0023 0.0208 0.0459
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0456 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0462 0.0016
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0456
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Onchocerca volvulus 0.0042 0.0456 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Onchocerca volvulus 0.0028 0.0282 0.2993
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.3852 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0456 0.0456
Schistosoma mansoni rab6-interacting 0.0023 0.0208 0.0395
Schistosoma mansoni hypothetical protein 0.004 0.0432 0.0824
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.525 0.525
Brugia malayi RNA binding protein 0.0062 0.0728 0.1743
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0432 0.9048
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0583 0.0373
Brugia malayi beta-lactamase family protein 0.0042 0.0456 0.1072
Mycobacterium ulcerans hypothetical protein 0.0158 0.1985 0.1602
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0462 0.0016
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0703 0.1338
Schistosoma mansoni lipoxygenase 0.0064 0.0749 0.1427
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.1985 0.1602
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Echinococcus multilocularis thymidine phosphorylase 0.0765 1 1
Brugia malayi hypothetical protein 0.0023 0.0208 0.0459
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0605 0.1152
Schistosoma mansoni glutaminase 0.0316 0.4077 0.7766
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.1774 0.3881
Toxoplasma gondii ABC1 family protein 0.0042 0.0456 0.1278
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0605 0.0605
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0216 0.2756 0.241
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0456
Loa Loa (eye worm) beta-lactamase 0.0042 0.0456 0.1069

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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