Detailed information for compound 1491774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.206 | Formula: C11H14NO6P
  • H donors: 1 H acceptors: 3 LogP: 1.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(c1ccc(o1)c1noc(c1)O)OCC
  • InChi: 1S/C11H14NO6P/c1-3-15-19(14,16-4-2)11-6-5-9(17-11)8-7-10(13)18-12-8/h5-7,13H,3-4H2,1-2H3
  • InChiKey: QKPDOOKETVFXDQ-UHFFFAOYSA-N  

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
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0259 0.2782 1
Toxoplasma gondii thioredoxin reductase 0.005 0 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.102 0.102
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0802 1 1
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0117 0.0887 0.0887
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0802 1 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0117 0.0887 0.5
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0802 1 1
Schistosoma mansoni hypothetical protein 0.0177 0.1696 0.0345
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0802 1 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0117 0.0887 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.0851 0.0851
Mycobacterium ulcerans hypothetical protein 0.0802 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.102 0.102
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0143 0.1231 0.0378
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0259 0.2782 1
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.046 0.5449 0.9406
Mycobacterium ulcerans hypothetical protein 0.0259 0.2782 0.208
Schistosoma mansoni acetolactate synthase 0.0685 0.8449 1
Mycobacterium ulcerans acetolactate synthase 0.0459 0.5438 0.4994
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.102 0.102
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0117 0.0887 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0024 0.0042
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0117 0.0887 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0459 0.5438 1
Schistosoma mansoni hypothetical protein 0.0177 0.1696 0.0345
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0259 0.2782 1
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0459 0.5438 0.4994
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0259 0.2782 0.5117
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0459 0.5438 0.4994
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0143 0.1231 0.0415
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.0851 0.0851
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.102 0.0185
Treponema pallidum pyruvate oxidoreductase 0.0117 0.0887 0.5
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0117 0.0887 0.5
Mycobacterium tuberculosis Probable reductase 0.0114 0.0851 0.0851
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0343 0.3897 0.3897
Schistosoma mansoni acetolactate synthase 0.0685 0.8449 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.0851 0.0851
Loa Loa (eye worm) ILVBL protein 0.0486 0.5793 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0117 0.0887 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0459 0.5438 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0259 0.2782 1
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0802 1 1
Brugia malayi Cytochrome P450 family protein 0.0052 0.0024 0.0024
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0459 0.5438 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0802 1 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0117 0.0887 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.0851 0.0851
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0117 0.0887 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.0851 0.0851
Echinococcus multilocularis geminin 0.0177 0.1696 1
Echinococcus granulosus geminin 0.0177 0.1696 1

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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