Detailed information for compound 372612

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 267.238 | Formula: C11H13N3O5
  • H donors: 4 H acceptors: 5 LogP: -3.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H]1C[C@](CN1C(=O)c1ccc[nH]1)(N)C(=O)O
  • InChi: 1S/C11H13N3O5/c12-11(10(18)19)4-7(9(16)17)14(5-11)8(15)6-2-1-3-13-6/h1-3,7,13H,4-5,12H2,(H,16,17)(H,18,19)/t7-,11+/m1/s1
  • InChiKey: LVGIVCBQRBJHDB-HQJQHLMTSA-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 cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1381 0.4481 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0066 0.0032
Mycobacterium ulcerans thymidylate synthase 0.0442 0.1157 0.1649
Loa Loa (eye worm) hypothetical protein 0.015 0.0125 0.0092
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0033 0.0033
Brugia malayi thymidylate synthase 0.0442 0.1157 0.1127
Loa Loa (eye worm) dihydrofolate reductase 0.205 0.6848 0.6838
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.015 0.0125 0.0092
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Loa Loa (eye worm) CAMK/PIM protein kinase 0.294 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1381 0.4481 1
Leishmania major hypothetical protein, conserved 0.0198 0.0295 0.0032
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.205 0.6848 1
Echinococcus multilocularis Tolloid protein 1 0.015 0.0125 0.0092
Echinococcus multilocularis laminin 0.015 0.0125 0.0092
Schistosoma mansoni hypothetical protein 0.0198 0.0295 0.0295
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.205 0.6848 1
Brugia malayi Calcium binding EGF domain containing protein 0.015 0.0125 0.0092
Loa Loa (eye worm) hypothetical protein 0.015 0.0125 0.0092
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.015 0.0125 0.0092
Brugia malayi Kringle domain containing protein 0.0198 0.0295 0.0262
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0442 0.1157 0.1259
Echinococcus granulosus laminin 0.015 0.0125 0.0092
Brugia malayi Dihydrofolate reductase 0.205 0.6848 0.6838
Echinococcus multilocularis thymidylate synthase 0.0442 0.1157 0.1127
Brugia malayi Fibulin-1 precursor 0.015 0.0125 0.0092
Onchocerca volvulus 0.0198 0.0295 0.0262
Echinococcus granulosus tissue type plasminogen activator 0.0198 0.0295 0.0262
Loa Loa (eye worm) hypothetical protein 0.1116 0.3544 0.3522
Schistosoma mansoni dihydrofolate reductase 0.205 0.6848 0.6848
Echinococcus multilocularis tissue type plasminogen activator 0.0198 0.0295 0.0262
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1116 0.3544 0.3544
Onchocerca volvulus Arrow homolog 0.015 0.0125 0.0092
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0124 0.0033 0.0033
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.294 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0124 0.0033 0.0033
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.021 0.0337 0.0101
Loa Loa (eye worm) hypothetical protein 0.0198 0.0295 0.0262
Echinococcus granulosus thymidylate synthase 0.0442 0.1157 0.1127
Chlamydia trachomatis dihydrofolate reductase 0.205 0.6848 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Onchocerca volvulus 0.0442 0.1157 0.1127
Echinococcus granulosus Tolloid protein 1 0.015 0.0125 0.0092
Brugia malayi Protein kinase domain containing protein 0.0198 0.0295 0.0262
Loa Loa (eye worm) CAMK/PIM protein kinase 0.294 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.015 0.0125 0.0092
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.294 1 1
Schistosoma mansoni serine/threonine protein kinase 0.294 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1381 0.4481 1
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0315 0.0709 0.0678
Loa Loa (eye worm) TK/ROR protein kinase 0.0198 0.0295 0.0262
Loa Loa (eye worm) hypothetical protein 0.015 0.0125 0.0092
Schistosoma mansoni egf-like domain protein 0.015 0.0125 0.0125
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0033 0.0033
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0442 0.1157 0.1157
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Brugia malayi hypothetical protein 0.021 0.0337 0.0305
Brugia malayi dihydrofolate reductase family protein 0.205 0.6848 0.6838
Echinococcus granulosus dihydrofolate reductase 0.205 0.6848 0.6838
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0033 0.0033
Loa Loa (eye worm) thymidylate synthase 0.0442 0.1157 0.1127
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1116 0.3544 0.3544
Loa Loa (eye worm) hypothetical protein 0.1116 0.3544 0.3522
Echinococcus multilocularis dihydrofolate reductase 0.205 0.6848 0.6838
Trichomonas vaginalis conserved hypothetical protein 0.021 0.0337 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.205 0.6848 1
Loa Loa (eye worm) hypothetical protein 0.015 0.0125 0.0092
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0124 0.0033 0.0033
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1381 0.4481 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.015 0.0125 0.0092
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.015 0.0125 0.0125
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1381 0.4481 1
Brugia malayi Trypsin family protein 0.1116 0.3544 0.3522
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1381 0.4481 1
Toxoplasma gondii kringle domain-containing protein 0.0198 0.0295 0.039
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.294 1 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.0473 0.0441
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Brugia malayi Serine/threonine-protein kinase Pim-3 0.294 1 1
Echinococcus multilocularis fibrillin 1 0.015 0.0125 0.0092
Loa Loa (eye worm) hypothetical protein 0.015 0.0125 0.0092
Schistosoma mansoni cercarial elastase (S01 family) 0.0124 0.0033 0.0033
Onchocerca volvulus 0.1116 0.3544 0.3522
Onchocerca volvulus 0.0992 0.3103 0.308

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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