Detailed information for compound 1030702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 161.156 | Formula: C6H11NO4
  • H donors: 2 H acceptors: 4 LogP: -0.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCN(C(=O)C)O
  • InChi: 1S/C6H11NO4/c1-5(8)7(11)4-2-3-6(9)10/h11H,2-4H2,1H3,(H,9,10)
  • InChiKey: BQRNDEKPGANRRR-UHFFFAOYSA-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 transcription factor LCR-F1 0.004 0.061 0.0338
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0035 0.0399 0.0089
Loa Loa (eye worm) hypothetical protein 0.0078 0.2173 0.2511
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.2173 0.0113
Echinococcus granulosus jumonji domain containing 1A 0.0035 0.0399 0.0148
Schistosoma mansoni phosphatidylserine receptor 0.0035 0.0399 0.0089
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0132 0.4443 0.4861
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0957 0.0803
Schistosoma mansoni hypothetical protein 0.004 0.061 0.0338
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0161 0.5661 0.4518
Schistosoma mansoni protein phosphatase 2C 0.0035 0.0399 0.0089
Brugia malayi Aspartyl aminopeptidase 0.0161 0.5661 0.6539
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Brugia malayi jmjC domain containing protein 0.0035 0.0399 0.0461
Trypanosoma cruzi metacaspase, putative 0.0078 0.2173 0.384
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0324 0.102
Trypanosoma cruzi metacaspase, putative 0.0078 0.2173 0.384
Brugia malayi Cell death protein 3 precursor 0.0124 0.4099 0.4735
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Echinococcus multilocularis caspase 8 0.0078 0.2173 0.2183
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0078 0.2173 1
Echinococcus multilocularis caspase 3 0.0159 0.5553 0.6171
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0114 0.0202
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.061 0.0396
Loa Loa (eye worm) hypothetical protein 0.0035 0.0399 0.0461
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0324 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.2173 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0957 0.0747
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0161 0.5661 1
Echinococcus multilocularis caspase 0.0237 0.8798 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0854 0.0987
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0078 0.2173 0.2511
Brugia malayi hypothetical protein 0.0046 0.0854 0.0987
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0114 0.0202
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0957 0.1106
Brugia malayi jmjC domain containing protein 0.0035 0.0399 0.0461
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Schistosoma mansoni jumonji/arid domain-containing protein 0.0132 0.4443 0.4861
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.2173 0.0113
Plasmodium vivax SET domain protein, putative 0.0033 0.0324 0.0379
Plasmodium vivax metacaspase 1, putative 0.0078 0.2173 0.3713
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0161 0.5661 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0114 0.0202
Echinococcus granulosus lysine specific demethylase 5A 0.0132 0.4443 0.4892
Brugia malayi hypothetical protein 0.004 0.061 0.0705
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0035 0.0399 0.0148
Echinococcus multilocularis JmjC domain containing protein 4 0.0035 0.0399 0.0089
Onchocerca volvulus 0.0046 0.0854 0.0548
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0161 0.5661 0.6298
Plasmodium vivax JmjC domain containing protein 0.0035 0.0399 0.0514
Brugia malayi hypothetical protein 0.0028 0.0114 0.0132
Brugia malayi jmjC domain containing protein 0.0035 0.0399 0.0461
Loa Loa (eye worm) hypothetical protein 0.0035 0.0399 0.0461
Echinococcus multilocularis lysine specific demethylase 5A 0.0132 0.4443 0.4861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0957 0.0747
Echinococcus granulosus phd:f box containing protein 0.0035 0.0399 0.0148
Loa Loa (eye worm) hypothetical protein 0.0161 0.5661 0.6539
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0399 0.0461
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Trypanosoma brucei metacaspase MCA3 0.0078 0.2173 0.384
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0078 0.2173 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0957 0.1106
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0161 0.5661 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0078 0.2173 0.2183
Echinococcus granulosus aspartyl aminopeptidase 0.0161 0.5661 0.632
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0161 0.5661 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0957 0.0747
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0957 0.0747
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0035 0.0399 0.1385
Echinococcus granulosus caspase 3 0.0159 0.5553 0.6194
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0035 0.0399 0.0706
Brugia malayi Pre-SET motif family protein 0.0033 0.0324 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.2173 0.0113
Trypanosoma cruzi metacaspase, putative 0.0078 0.2173 0.384
Loa Loa (eye worm) hypothetical protein 0.0033 0.0324 0.0374
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.061 0.0338
Brugia malayi Cytochrome P450 family protein 0.0059 0.1374 0.1587
Brugia malayi jmjC domain containing protein 0.0132 0.4443 0.5133
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0161 0.5661 0.5
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0237 0.8798 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.4099 0.4735
Leishmania major metacaspase, putative 0.0078 0.2173 0.384
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0161 0.5661 0.4518
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.2173 0.0113
Echinococcus multilocularis apoptotic protease activating factor 1 0.0046 0.0854 0.0626
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0132 0.4443 0.4892
Echinococcus granulosus caspase 2 0.0124 0.4099 0.4488
Echinococcus granulosus caspase 0.0237 0.8798 1
Trypanosoma cruzi metacaspase 5, putative 0.0078 0.2173 0.384
Echinococcus multilocularis aspartyl aminopeptidase 0.0161 0.5661 0.6298
Schistosoma mansoni phd/f-box containing protein 0.0035 0.0399 0.0089
Echinococcus multilocularis phd:f box containing protein 0.0035 0.0399 0.0089
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.8656 1
Schistosoma mansoni hypothetical protein 0.0046 0.0854 0.0626
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0035 0.0399 0.0706
Loa Loa (eye worm) hypothetical protein 0.0028 0.0114 0.0132
Schistosoma mansoni caspase-3 (C14 family) 0.0237 0.8798 1
Brugia malayi Pre-SET motif family protein 0.0233 0.8656 1
Plasmodium falciparum metacaspase 1 0.0078 0.2173 0.3713
Schistosoma mansoni caspase-7 (C14 family) 0.0237 0.8798 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0035 0.0399 0.0706
Echinococcus multilocularis jumonji domain containing 1A 0.0035 0.0399 0.0089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0957 0.0747
Echinococcus granulosus caspase 8 0.0078 0.2173 0.223
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0161 0.5661 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0161 0.5661 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0399 0.0461
Loa Loa (eye worm) aspartyl aminopeptidase 0.0161 0.5661 0.6539
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0161 0.5661 1
Schistosoma mansoni jumonji domain containing protein 0.0035 0.0399 0.0089
Onchocerca volvulus Cell death protein 3 homolog 0.0124 0.4099 0.3901
Trypanosoma brucei Metacaspase-4 0.0078 0.2173 0.384
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0161 0.5661 0.6298
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.1374 0.1587
Trypanosoma brucei metacaspase 0.0078 0.2173 0.384
Schistosoma mansoni jumonji/arid domain-containing protein 0.0132 0.4443 0.4861
Entamoeba histolytica aminopeptidase, putative 0.0161 0.5661 1
Schistosoma mansoni jumonji domain containing protein 0.0132 0.4443 0.4861
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0035 0.0399 0.1385
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0161 0.5661 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Trichomonas vaginalis set domain proteins, putative 0.0265 1 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0161 0.5661 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Schistosoma mansoni caspase-7 (C14 family) 0.0124 0.4099 0.4455
Leishmania major hypothetical protein, conserved 0.0028 0.0114 0.0202
Loa Loa (eye worm) hypothetical protein 0.0161 0.5661 0.6539
Echinococcus multilocularis caspase 2 0.0124 0.4099 0.4455
Plasmodium falciparum metacaspase-like protein 0.0078 0.2173 0.3713
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.2173 0.0113
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0078 0.2173 0.0113
Trypanosoma cruzi metacaspase, putative 0.0078 0.2173 0.384
Echinococcus granulosus lysine specific demethylase 6a 0.0035 0.0399 0.0148
Trypanosoma brucei metacaspase 5, putative 0.0078 0.2173 0.384
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0399 0.0461
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0399 0.0461
Echinococcus granulosus JmjC domain containing protein 4 0.0035 0.0399 0.0148
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0237 0.8798 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0132 0.4443 0.5133
Echinococcus granulosus apoptotic protease activating factor 1 0.0046 0.0854 0.0682
Brugia malayi jmjC domain containing protein 0.0035 0.0399 0.0461
Plasmodium falciparum JmjC domain-containing protein, putative 0.0035 0.0399 0.0514
Plasmodium vivax hypothetical protein, conserved 0.0078 0.2173 0.3713
Trypanosoma brucei metacaspase MCA2 0.0078 0.2173 0.384
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0035 0.0399 0.0089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0957 0.0803
Trypanosoma cruzi metacaspase 5, putative 0.0078 0.2173 0.384
Brugia malayi jmjC domain containing protein 0.0132 0.4443 0.5133
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0161 0.5661 0.4518
Echinococcus multilocularis lysine specific demethylase 6a 0.0035 0.0399 0.0089
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0078 0.2173 1
Leishmania major hypothetical protein, conserved 0.0035 0.0399 0.0706

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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