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
Schistosoma mansoni glutaminase 0.0316 0.4077 0.7766
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0208 0.0208
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0456 0.1069
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0282 0.0639
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0456
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0605 0.1152
Mycobacterium ulcerans glutaminase 0.0316 0.4077 0.3794
Schistosoma mansoni cpg binding protein 0.0028 0.0282 0.0537
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.0578
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1774 0.3881
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Brugia malayi hypothetical protein 0.0023 0.0208 0.0459
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0432 0.1013
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0456
Schistosoma mansoni lipoxygenase 0.0023 0.0208 0.0395
Brugia malayi glutaminase DH11.1 0.0316 0.4077 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 0.0749 0.0749
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0605 0.1435
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0208 0.0208
Brugia malayi CXXC zinc finger family protein 0.0028 0.0282 0.0642
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2756 0.241
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Schistosoma mansoni hypothetical protein 0.004 0.0432 0.0824
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0216 0.2756 0.241
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0728 0.174
Toxoplasma gondii hypothetical protein 0.0048 0.0543 0.5979
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0605 0.0605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0605 0.1152
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0605 0.1438
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0432 0.1013
Echinococcus multilocularis thymidine phosphorylase 0.0765 1 1
Brugia malayi beta-lactamase family protein 0.0042 0.0456 0.1072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0456 0.0869
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.3852 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0728 0.0728
Echinococcus multilocularis RUN 0.0023 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0605 0.0605
Loa Loa (eye worm) glutaminase 2 0.0316 0.4077 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0462 0.0016
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0703 0.1338
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0432 0.1013
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.3416 0.3101
Schistosoma mansoni loxhd1 0.0023 0.0208 0.0395
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0605 0.0605
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0462 0.0016
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0432 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.1774 0.3881
Onchocerca volvulus 0.0028 0.0282 0.2993
Echinococcus multilocularis cpg binding protein 0.003 0.0303 0.0303
Schistosoma mansoni polycystin 1-related 0.0023 0.0208 0.0395
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0456 0.0869
Brugia malayi Doublecortin family protein 0.0023 0.0208 0.0459
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0728 0.174
Echinococcus granulosus cpg binding protein 0.003 0.0303 0.0303
Schistosoma mansoni lipoxygenase 0.0064 0.0749 0.1427
Brugia malayi beta-lactamase 0.0042 0.0456 0.1072
Onchocerca volvulus 0.0042 0.0456 1
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) hypothetical protein 0.0042 0.0456 0.1069
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0765 1 1
Brugia malayi beta-lactamase family protein 0.0042 0.0456 0.1072
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0456 1
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0208 0.0456
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0432 0.0432
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.0578
Onchocerca volvulus 0.0042 0.0456 1
Brugia malayi hypothetical protein 0.0023 0.0208 0.0459
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0728 0.1743
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2756 1
Schistosoma mansoni hypothetical protein 0.0023 0.0208 0.0395
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0064 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0042 0.0456 0.1069
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Toxoplasma gondii ABC1 family protein 0.0042 0.0456 0.1278
Brugia malayi hypothetical protein 0.0036 0.0381 0.0888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0605 0.1152
Schistosoma mansoni rab6-interacting 0.0023 0.0208 0.0395
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.3852 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1774 0.3881
Mycobacterium ulcerans thymidine phosphorylase 0.0765 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0432 0.101
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0583 0.0373
Echinococcus granulosus RUN 0.0023 0.0208 0.0208
Loa Loa (eye worm) glutaminase 0.0316 0.4077 1
Loa Loa (eye worm) beta-lactamase 0.0042 0.0456 0.1069
Schistosoma mansoni hypothetical protein 0.0405 0.525 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0728 0.0728
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0456 0.0456
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0456 0.1072
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.1985 0.1602
Brugia malayi RNA binding protein 0.0062 0.0728 0.1743
Brugia malayi TAR-binding protein 0.0062 0.0728 0.1743
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0605 0.0605
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Schistosoma mansoni rab6-interacting 0.0023 0.0208 0.0395
Echinococcus granulosus dnaJ subfamily B 0.0405 0.525 0.525
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.3852 1
Onchocerca volvulus 0.0042 0.0456 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.1387
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.525 0.525
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0462 0.0016
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0456 0.0456
Loa Loa (eye worm) RNA binding protein 0.0062 0.0728 0.174
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.3852 1
Mycobacterium ulcerans hypothetical protein 0.0158 0.1985 0.1602
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0208 0.0208
Trichomonas vaginalis glutaminase, putative 0.0316 0.4077 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0462 0.0016
Brugia malayi hypothetical protein 0.0036 0.0381 0.0888
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0432 0.9048

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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